PubChemLite - Schembl2891857 (C24H32FN5O5)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)N(C)CCC1CN(C(=O)C2=C(C(=O)N(C(=O)N12)C(C)C)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H32FN5O5/c1-14(2)26-23(34)27(5)11-10-18-13-28(12-16-6-8-17(25)9-7-16)21(32)19-20(31)22(33)29(15(3)4)24(35)30(18)19/h6-9,14-15,18,31H,10-13H2,1-5H3,(H,26,34)

InChIKey

ZZEPFIGAYGNMAM-UHFFFAOYSA-N

Compound name

1-[2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-7-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-4-yl]ethyl]-1-methyl-3-propan-2-ylurea

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	490.24602	218.3
[M+Na]+	512.22796	224.2
[M-H]-	488.23146	220.8
[M+NH4]+	507.27256	222.2
[M+K]+	528.20190	220.8
[M+H-H2O]+	472.23600	206.8
[M+HCOO]-	534.23694	230.4
[M+CH3COO]-	548.25259	251.7
[M+Na-2H]-	510.21341	213.6
[M]+	489.23819	220.7
[M]-	489.23929	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.24602

218.3

[M+Na]+

512.22796

224.2

[M-H]-

488.23146

220.8

[M+NH4]+

507.27256

222.2

[M+K]+

528.20190

220.8

[M+H-H2O]+

472.23600

206.8

[M+HCOO]-

534.23694

230.4

[M+CH3COO]-

548.25259

251.7

[M+Na-2H]-

510.21341

213.6

[M]+

489.23819

220.7

[M]-

489.23929

220.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Schembl2891857

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe