CID 15896086

335155-21-0

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CN
InChI
InChI=1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3
InChIKey
SKCOMCAQFPNEHZ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.4
[M+Na]+ 317.16244 182.7
[M+NH4]+ 312.20704 179.0
[M+K]+ 333.13638 176.3
[M-H]- 293.16594 175.9
[M+Na-2H]- 315.14789 178.0
[M]+ 294.17267 174.3
[M]- 294.17377 174.3
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