CID 3053101

5,11-dihydro-11-(3-(2-methylpiperidino)propionyl)-6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC1CCCCN1CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C21H24N4O2/c1-15-7-4-5-13-24(15)14-11-19(26)25-18-10-3-2-8-16(18)21(27)23-17-9-6-12-22-20(17)25/h2-3,6,8-10,12,15H,4-5,7,11,13-14H2,1H3,(H,23,27)
InChIKey
HKRMKARASCWJLO-UHFFFAOYSA-N
Compound name
11-[3-(2-methylpiperidin-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.1899 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 190.5
[M+Na]+ 387.17912 195.7
[M-H]- 363.18262 192.5
[M+NH4]+ 382.22372 198.0
[M+K]+ 403.15306 192.8
[M+H-H2O]+ 347.18716 178.7
[M+HCOO]- 409.18810 199.1
[M+CH3COO]- 423.20375 196.8
[M+Na-2H]- 385.16457 192.1
[M]+ 364.18935 183.5
[M]- 364.19045 183.5
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