CID 4418

Naftopidil

Structural Information

Molecular Formula
C24H28N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
InChIKey
HRRBJVNMSRJFHQ-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

275
References

4576
Patents

392.21 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 196.6
[M+Na]+ 415.19922 199.6
[M-H]- 391.20272 201.3
[M+NH4]+ 410.24382 204.1
[M+K]+ 431.17316 193.9
[M+H-H2O]+ 375.20726 184.3
[M+HCOO]- 437.20820 209.2
[M+CH3COO]- 451.22385 203.3
[M+Na-2H]- 413.18467 198.1
[M]+ 392.20945 194.3
[M]- 392.21055 194.3
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