CID 162229

Verilopam

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=C(C=C2CCN(CCC2=C1)CCC3=CC=C(C=C3)N)OC
InChI
InChI=1S/C20H26N2O2/c1-23-19-13-16-8-11-22(12-9-17(16)14-20(19)24-2)10-7-15-3-5-18(21)6-4-15/h3-6,13-14H,7-12,21H2,1-2H3
InChIKey
BTCHMHMCMKZOQS-UHFFFAOYSA-N
Compound name
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

326.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 179.0
[M+Na]+ 349.18865 183.8
[M-H]- 325.19215 185.3
[M+NH4]+ 344.23325 191.6
[M+K]+ 365.16259 184.1
[M+H-H2O]+ 309.19669 170.7
[M+HCOO]- 371.19763 197.2
[M+CH3COO]- 385.21328 213.8
[M+Na-2H]- 347.17410 181.2
[M]+ 326.19888 176.2
[M]- 326.19998 176.2
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