CID 16728

5h-dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-, maleate

Structural Information

Molecular Formula
C18H23N3
SMILES
CN1C2=CC=CC=C2CN(C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C18H23N3/c1-19(2)12-13-21-14-15-8-4-5-9-16(15)20(3)17-10-6-7-11-18(17)21/h4-11H,12-14H2,1-3H3
InChIKey
ACCISTTYVUKVTL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(11-methyl-6H-benzo[b][1,4]benzodiazepin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 166.5
[M+Na]+ 304.17842 178.9
[M+NH4]+ 299.22302 174.9
[M+K]+ 320.15236 171.9
[M-H]- 280.18192 170.2
[M+Na-2H]- 302.16387 172.9
[M]+ 281.18865 169.5
[M]- 281.18975 169.5
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.