CID 453287

133626-79-6

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN1C2=C(C=C(C=C2)C(=O)N(CC)CC)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C20H24N4O2/c1-5-23(6-2)19(25)14-10-11-16-17(13-14)22(4)20(26)15-9-8-12-21-18(15)24(16)7-3/h8-13H,5-7H2,1-4H3
InChIKey
ULGJRFORTDIWQR-UHFFFAOYSA-N
Compound name
N,N,11-triethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepine-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 184.7
[M+Na]+ 375.17912 192.4
[M-H]- 351.18262 189.0
[M+NH4]+ 370.22372 196.2
[M+K]+ 391.15306 192.8
[M+H-H2O]+ 335.18716 174.9
[M+HCOO]- 397.18810 200.8
[M+CH3COO]- 411.20375 223.9
[M+Na-2H]- 373.16457 187.5
[M]+ 352.18935 186.2
[M]- 352.19045 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.