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]+ 327.206706 179.0
[M+Na]+ 349.188648 183.8
[M-H]- 325.192154 185.3
[M+NH4]+ 344.233253 191.6
[M+K]+ 365.162588 184.1
[M+H-H2O]+ 309.196690 170.7
[M+HCOO]- 371.197631 197.2
[M+CH3COO]- 385.213281 213.8
[M+Na-2H]- 347.174096 181.2
[M]+ 326.19888142 176.2
[M]- 326.19997858 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