CID 3053100

6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methoxy-1-piperidinyl)acetyl)-

Structural Information

Molecular Formula
C20H22N4O3
SMILES
COC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C20H22N4O3/c1-27-14-8-11-23(12-9-14)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)
InChIKey
IJRLIBJHACVBBS-UHFFFAOYSA-N
Compound name
11-[2-(4-methoxypiperidin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

366.1692 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 188.9
[M+Na]+ 389.15842 194.3
[M-H]- 365.16192 191.0
[M+NH4]+ 384.20302 196.2
[M+K]+ 405.13236 192.4
[M+H-H2O]+ 349.16646 177.1
[M+HCOO]- 411.16740 197.9
[M+CH3COO]- 425.18305 195.5
[M+Na-2H]- 387.14387 191.2
[M]+ 366.16865 182.9
[M]- 366.16975 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe