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

43
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 170.2
[M+Na]+ 317.162438 174.9
[M-H]- 293.165944 176.6
[M+NH4]+ 312.207043 183.9
[M+K]+ 333.136378 174.6
[M+H-H2O]+ 277.170480 162.6
[M+HCOO]- 339.171421 187.9
[M+CH3COO]- 353.187071 180.0
[M+Na-2H]- 315.147886 172.6
[M]+ 294.17267142 164.2
[M]- 294.17376858 164.2
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