CID 162345334

Ns00132959

Structural Information

Molecular Formula

C₁₅H₁₅N₃

SMILES

CC1=C2C(=CC=C1)C3=CC=CC(=C3N=C(N2)N)C

InChI

InChI=1S/C15H15N3/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)18-15(16)17-13(9)11/h3-8H,1-2H3,(H3,16,17,18)

InChIKey

MWYHDHVXYKGRAV-UHFFFAOYSA-N

Compound name

4,8-dimethyl-7H-benzo[d][1,3]benzodiazepin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.1266 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.133876	154.5
[M+Na]+	260.115818	163.9
[M-H]-	236.119324	157.9
[M+NH4]+	255.160423	170.5
[M+K]+	276.089758	162.3
[M+H-H2O]+	220.123860	147.6
[M+HCOO]-	282.124801	172.8
[M+CH3COO]-	296.140451	166.0
[M+Na-2H]-	258.101266	161.7
[M]+	237.12605142	150.6
[M]-	237.12714858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.