CID 13339188

2-amino-7-methyl-5-(4-methylphenyl)-4,5-dihydro-3h-1,3-benzodiazepine hydrochloride

Structural Information

Molecular Formula
C17H19N3
SMILES
CC1=CC=C(C=C1)C2CN=C(NC3=C2C=C(C=C3)C)N
InChI
InChI=1S/C17H19N3/c1-11-3-6-13(7-4-11)15-10-19-17(18)20-16-8-5-12(2)9-14(15)16/h3-9,15H,10H2,1-2H3,(H3,18,19,20)
InChIKey
PRCHGFMCTOSVJT-UHFFFAOYSA-N
Compound name
7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 164.1
[M+Na]+ 288.14712 177.0
[M+NH4]+ 283.19172 171.8
[M+K]+ 304.12106 170.4
[M-H]- 264.15062 168.5
[M+Na-2H]- 286.13257 171.7
[M]+ 265.15735 167.3
[M]- 265.15845 167.3
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