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

593
Patents

310.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 175.9
[M+Na]+ 333.193718 180.9
[M-H]- 309.197224 182.3
[M+NH4]+ 328.238323 189.3
[M+K]+ 349.167658 180.5
[M+H-H2O]+ 293.201760 167.9
[M+HCOO]- 355.202701 194.0
[M+CH3COO]- 369.218351 185.5
[M+Na-2H]- 331.179166 178.1
[M]+ 310.20395142 171.8
[M]- 310.20504858 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

patents stripe