CID 207672

30490-51-8

Structural Information

Molecular Formula
C19H22N2
SMILES
CN1C2=CC=CC=C2C=C(C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H22N2/c1-20(2)13-12-15-14-16-8-4-6-10-18(16)21(3)19-11-7-5-9-17(15)19/h4-11,14H,12-13H2,1-3H3
InChIKey
NSBSRHFTGFVSKV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.17828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 165.4
[M+Na]+ 301.16750 172.5
[M-H]- 277.17100 172.0
[M+NH4]+ 296.21210 182.2
[M+K]+ 317.14144 172.2
[M+H-H2O]+ 261.17554 158.6
[M+HCOO]- 323.17648 186.0
[M+CH3COO]- 337.19213 176.9
[M+Na-2H]- 299.15295 171.8
[M]+ 278.17773 165.4
[M]- 278.17883 165.4
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

patents stripe