CID 475343

7-chloro-1-methyl-4-phenyl-3,5-dihydropyrido[3,2-e][1,4]diazepin-2-one

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CN1C(=O)CN(CC2=C1C=CC(=N2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H14ClN3O/c1-18-13-7-8-14(16)17-12(13)9-19(10-15(18)20)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKey
ZCCWCFOXIDGNKP-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-4-phenyl-3,5-dihydropyrido[3,2-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.08255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 163.5
[M+Na]+ 310.07177 173.5
[M-H]- 286.07527 168.0
[M+NH4]+ 305.11637 176.6
[M+K]+ 326.04571 171.5
[M+H-H2O]+ 270.07981 153.5
[M+HCOO]- 332.08075 176.1
[M+CH3COO]- 346.09640 174.3
[M+Na-2H]- 308.05722 168.4
[M]+ 287.08200 161.5
[M]- 287.08310 161.5
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.