CID 24844795

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

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC1(CCCN(C1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C
InChI
InChI=1S/C21H24N4O2/c1-21(2)10-6-12-24(14-21)13-18(26)25-17-9-4-3-7-15(17)20(27)23-16-8-5-11-22-19(16)25/h3-5,7-9,11H,6,10,12-14H2,1-2H3,(H,23,27)
InChIKey
FOYRRTZFMAWILJ-UHFFFAOYSA-N
Compound name
11-[2-(3,3-dimethylpiperidin-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

0
Patents

364.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 191.5
[M+Na]+ 387.17912 197.8
[M-H]- 363.18262 193.8
[M+NH4]+ 382.22372 200.9
[M+K]+ 403.15306 194.7
[M+H-H2O]+ 347.18716 179.4
[M+HCOO]- 409.18810 200.0
[M+CH3COO]- 423.20375 198.2
[M+Na-2H]- 385.16457 193.9
[M]+ 364.18935 184.7
[M]- 364.19045 184.7
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

No patent data available for this compound.