CID 60820

Mazapertine

Structural Information

Molecular Formula
C26H35N3O2
SMILES
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C(=O)N4CCCCC4
InChI
InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
InChIKey
ZKZFPRUSWCYSGT-UHFFFAOYSA-N
Compound name
piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1036
Patents

421.27292 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.280196 207.5
[M+Na]+ 444.262138 207.1
[M-H]- 420.265644 213.0
[M+NH4]+ 439.306743 211.4
[M+K]+ 460.236078 201.4
[M+H-H2O]+ 404.270180 193.3
[M+HCOO]- 466.271121 215.8
[M+CH3COO]- 480.286771 211.9
[M+Na-2H]- 442.247586 203.5
[M]+ 421.27237142 199.8
[M]- 421.27346858 199.8
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