CID 16731

Brn 0894740

Structural Information

Molecular Formula
C17H20ClN3
SMILES
CN(C)CCN1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl
InChI
InChI=1S/C17H20ClN3/c1-20(2)9-10-21-12-13-5-3-4-6-15(13)19-16-11-14(18)7-8-17(16)21/h3-8,11,19H,9-10,12H2,1-2H3
InChIKey
JABRUTZIAKYXPW-UHFFFAOYSA-N
Compound name
2-(2-chloro-6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.13458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14186 167.6
[M+Na]+ 324.12380 180.4
[M+NH4]+ 319.16840 175.9
[M+K]+ 340.09774 173.1
[M-H]- 300.12730 170.8
[M+Na-2H]- 322.10925 173.7
[M]+ 301.13403 170.7
[M]- 301.13513 170.7
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.