PubChemLite - Gedatolisib (C32H41N9O4)

Structural Information

Molecular Formula

SMILES

CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6

InChI

InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)

InChIKey

DWZAEMINVBZMHQ-UHFFFAOYSA-N

Compound name

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

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]+	616.33538	243.6
[M+Na]+	638.31732	253.9
[M+NH4]+	633.36192	245.3
[M+K]+	654.29126	249.6
[M-H]-	614.32082	254.4
[M+Na-2H]-	636.30277	250.5
[M]+	615.32755	247.6
[M]-	615.32865	247.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

616.33538

243.6

[M+Na]+

638.31732

253.9

[M+NH4]+

633.36192

245.3

[M+K]+

654.29126

249.6

[M-H]-

614.32082

254.4

[M+Na-2H]-

636.30277

250.5

[M]+

615.32755

247.6

[M]-

615.32865

247.6

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

Gedatolisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe