CID 3041744

5,11-dihydro-5-methyl-11-(3-pyrrolidinopropyl)-6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one hcl

Structural Information

Molecular Formula
C20H24N4O
SMILES
CN1C2=C(N=CC=C2)N(C3=CC=CC=C3C1=O)CCCN4CCCC4
InChI
InChI=1S/C20H24N4O/c1-22-18-10-6-11-21-19(18)24(15-7-14-23-12-4-5-13-23)17-9-3-2-8-16(17)20(22)25/h2-3,6,8-11H,4-5,7,12-15H2,1H3
InChIKey
SKQUVSXNFDZXJA-UHFFFAOYSA-N
Compound name
5-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 184.3
[M+Na]+ 359.18422 195.8
[M+NH4]+ 354.22882 190.8
[M+K]+ 375.15816 190.6
[M-H]- 335.18772 186.5
[M+Na-2H]- 357.16967 188.6
[M]+ 336.19445 186.5
[M]- 336.19555 186.5
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