CID 9925

Benanserin hydrochloride

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CCN
InChI
InChI=1S/C19H22N2O/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13,20H2,1-2H3
InChIKey
RPSOLZRELOLSFM-UHFFFAOYSA-N
Compound name
2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

165
Patents

294.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 170.9
[M+Na]+ 317.162438 180.5
[M-H]- 293.165944 177.6
[M+NH4]+ 312.207043 188.0
[M+K]+ 333.136378 174.7
[M+H-H2O]+ 277.170480 162.6
[M+HCOO]- 339.171421 194.9
[M+CH3COO]- 353.187071 183.1
[M+Na-2H]- 315.147886 174.2
[M]+ 294.17267142 174.6
[M]- 294.17376858 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe