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]+ 282.196476 166.5
[M+Na]+ 304.178418 173.2
[M-H]- 280.181924 171.5
[M+NH4]+ 299.223023 181.8
[M+K]+ 320.152358 172.9
[M+H-H2O]+ 264.186460 158.1
[M+HCOO]- 326.187401 184.8
[M+CH3COO]- 340.203051 177.1
[M+Na-2H]- 302.163866 172.5
[M]+ 281.18865142 165.3
[M]- 281.18974858 165.3
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

No patent data available for this compound.