CID 20948

5h-dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C18H23N3
SMILES
CN(C)CCCN1CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C18H23N3/c1-20(2)12-7-13-21-14-15-8-3-4-9-16(15)19-17-10-5-6-11-18(17)21/h3-6,8-11,19H,7,12-14H2,1-2H3
InChIKey
CGDLRXBBGWBJAK-UHFFFAOYSA-N
Compound name
3-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 166.5
[M+Na]+ 304.17842 178.0
[M+NH4]+ 299.22302 174.5
[M+K]+ 320.15236 171.1
[M-H]- 280.18192 169.6
[M+Na-2H]- 302.16387 172.5
[M]+ 281.18865 169.1
[M]- 281.18975 169.1
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.