CID 115376

Brn 1686653

Structural Information

Molecular Formula
C19H22N2
SMILES
CC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C19H22N2/c1-15(20(2)3)14-21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-13,15H,14H2,1-3H3
InChIKey
BSZNQHDGIACTOZ-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzazepin-11-yl-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 164.8
[M+Na]+ 301.167498 170.7
[M-H]- 277.171004 171.1
[M+NH4]+ 296.212103 181.2
[M+K]+ 317.141438 170.9
[M+H-H2O]+ 261.175540 158.0
[M+HCOO]- 323.176481 184.5
[M+CH3COO]- 337.192131 175.9
[M+Na-2H]- 299.152946 170.8
[M]+ 278.17773142 163.9
[M]- 278.17882858 163.9
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.