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]+ 279.18556 164.8
[M+Na]+ 301.16750 170.7
[M-H]- 277.17100 171.1
[M+NH4]+ 296.21210 181.2
[M+K]+ 317.14144 170.9
[M+H-H2O]+ 261.17554 158.0
[M+HCOO]- 323.17648 184.5
[M+CH3COO]- 337.19213 175.9
[M+Na-2H]- 299.15295 170.8
[M]+ 278.17773 163.9
[M]- 278.17883 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.