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 166.3
[M+Na]+ 304.17842 171.7
[M-H]- 280.18192 169.7
[M+NH4]+ 299.22302 180.7
[M+K]+ 320.15236 170.7
[M+H-H2O]+ 264.18646 158.1
[M+HCOO]- 326.18740 183.3
[M+CH3COO]- 340.20305 176.0
[M+Na-2H]- 302.16387 172.7
[M]+ 281.18865 163.1
[M]- 281.18975 163.1
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.