CID 135457989

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

Structural Information

Molecular Formula
C15H15ClN4
SMILES
CN=C1CN(CC2=C(N1)C=CC(=N2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H15ClN4/c1-17-15-10-20(11-5-3-2-4-6-11)9-13-12(19-15)7-8-14(16)18-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKey
JRAVPEPRAUGIIX-UHFFFAOYSA-N
Compound name
7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.0985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10578 165.8
[M+Na]+ 309.08772 174.3
[M-H]- 285.09122 169.9
[M+NH4]+ 304.13232 178.4
[M+K]+ 325.06166 171.7
[M+H-H2O]+ 269.09576 155.2
[M+HCOO]- 331.09670 179.2
[M+CH3COO]- 345.11235 175.7
[M+Na-2H]- 307.07317 171.8
[M]+ 286.09795 161.5
[M]- 286.09905 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.