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 162.3
[M+Na]+ 290.16277 168.0
[M-H]- 266.16627 164.5
[M+NH4]+ 285.20737 176.6
[M+K]+ 306.13671 165.9
[M+H-H2O]+ 250.17081 154.4
[M+HCOO]- 312.17175 179.1
[M+CH3COO]- 326.18740 171.9
[M+Na-2H]- 288.14822 169.9
[M]+ 267.17300 157.7
[M]- 267.17410 157.7
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.