CID 5279407

Schembl644846

Structural Information

Molecular Formula
C23H21N5O2
SMILES
CN(C)C1=NC=C(C=C1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H21N5O2/c1-28(2)19-13-12-16(14-24-19)22(29)27-21-23(30)25-18-11-7-6-10-17(18)20(26-21)15-8-4-3-5-9-15/h3-14,21H,1-2H3,(H,25,30)(H,27,29)
InChIKey
BZCRGROLIVZLQA-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

399.16953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17681 199.2
[M+Na]+ 422.15875 204.6
[M-H]- 398.16225 207.0
[M+NH4]+ 417.20335 205.5
[M+K]+ 438.13269 204.0
[M+H-H2O]+ 382.16679 187.2
[M+HCOO]- 444.16773 216.4
[M+CH3COO]- 458.18338 206.8
[M+Na-2H]- 420.14420 203.0
[M]+ 399.16898 195.1
[M]- 399.17008 195.1
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