CID 36039

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

Structural Information

Molecular Formula
C17H21N3
SMILES
CNCCCN1CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C17H21N3/c1-18-11-6-12-20-13-14-7-2-3-8-15(14)19-16-9-4-5-10-17(16)20/h2-5,7-10,18-19H,6,11-13H2,1H3
InChIKey
KOSXPJHWWXBDKR-UHFFFAOYSA-N
Compound name
3-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 162.5
[M+Na]+ 290.16277 174.0
[M+NH4]+ 285.20737 170.4
[M+K]+ 306.13671 166.9
[M-H]- 266.16627 165.4
[M+Na-2H]- 288.14822 168.6
[M]+ 267.17300 165.0
[M]- 267.17410 165.0
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.