CID 10362234

Schembl643870

Structural Information

Molecular Formula
C21H23N5O2
SMILES
CN1CCN(CC1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)21(28)24-19-20(27)22-17-10-6-5-9-16(17)18(23-19)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3,(H,22,27)(H,24,28)
InChIKey
KJXJJTPYTJBZEL-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

377.18518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 194.8
[M+Na]+ 400.17440 199.2
[M-H]- 376.17790 199.1
[M+NH4]+ 395.21900 200.3
[M+K]+ 416.14834 197.0
[M+H-H2O]+ 360.18244 181.9
[M+HCOO]- 422.18338 205.8
[M+CH3COO]- 436.19903 200.9
[M+Na-2H]- 398.15985 196.5
[M]+ 377.18463 186.0
[M]- 377.18573 186.0
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

patents stripe