PubChemLite - Bmy-25282 (C18H23N5O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N=CN(C)C

InChI

InChI=1S/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/t9-,10+,16+,18-/m1/s1

InChIKey

WZMFNIVNLYRDDE-QJIICXBUSA-N

Compound name

[(4S,6S,7R,8S)-11-(dimethylaminomethylideneamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

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]+	390.17720	187.2
[M+Na]+	412.15914	194.6
[M+NH4]+	407.20374	193.6
[M+K]+	428.13308	194.9
[M-H]-	388.16264	193.7
[M+Na-2H]-	410.14459	188.4
[M]+	389.16937	190.7
[M]-	389.17047	190.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.17720

187.2

[M+Na]+

412.15914

194.6

[M+NH4]+

407.20374

193.6

[M+K]+

428.13308

194.9

[M-H]-

388.16264

193.7

[M+Na-2H]-

410.14459

188.4

[M]+

389.16937

190.7

[M]-

389.17047

190.7

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

Bmy-25282

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe