CID 13339178

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

Structural Information

Molecular Formula
C16H17N3
SMILES
CC1=CC=C(C=C1)C2CN=C(NC3=CC=CC=C23)N
InChI
InChI=1S/C16H17N3/c1-11-6-8-12(9-7-11)14-10-18-16(17)19-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H3,17,18,19)
InChIKey
VJNPBAVHSVYRLP-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 159.6
[M+Na]+ 274.13146 172.3
[M+NH4]+ 269.17606 167.4
[M+K]+ 290.10540 165.7
[M-H]- 250.13496 163.9
[M+Na-2H]- 272.11691 167.6
[M]+ 251.14169 162.7
[M]- 251.14279 162.7
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

No patent data available for this compound.