CID 166550

Anilopam

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1CC2=C(CCN1CCC3=CC=C(C=C3)N)C=CC(=C2)OC
InChI
InChI=1S/C20H26N2O/c1-15-13-18-14-20(23-2)8-5-17(18)10-12-22(15)11-9-16-3-6-19(21)7-4-16/h3-8,14-15H,9-13,21H2,1-2H3
InChIKey
GNCHTURXQMPGMG-UHFFFAOYSA-N
Compound name
4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

310.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 175.9
[M+Na]+ 333.19372 180.9
[M-H]- 309.19722 182.3
[M+NH4]+ 328.23832 189.3
[M+K]+ 349.16766 180.5
[M+H-H2O]+ 293.20176 167.9
[M+HCOO]- 355.20270 194.0
[M+CH3COO]- 369.21835 185.5
[M+Na-2H]- 331.17917 178.1
[M]+ 310.20395 171.8
[M]- 310.20505 171.8
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.