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

5
Patents

336.195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.202276 184.0
[M+Na]+ 359.184218 191.0
[M-H]- 335.187724 187.9
[M+NH4]+ 354.228823 195.3
[M+K]+ 375.158158 187.5
[M+H-H2O]+ 319.192260 172.4
[M+HCOO]- 381.193201 197.1
[M+CH3COO]- 395.208851 192.3
[M+Na-2H]- 357.169666 185.1
[M]+ 336.19445142 180.4
[M]- 336.19554858 180.4
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