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
3
Annotation Hits

14
References

1030
Patents

421.27292 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.28020 207.5
[M+Na]+ 444.26214 207.1
[M-H]- 420.26564 213.0
[M+NH4]+ 439.30674 211.4
[M+K]+ 460.23608 201.4
[M+H-H2O]+ 404.27018 193.3
[M+HCOO]- 466.27112 215.8
[M+CH3COO]- 480.28677 211.9
[M+Na-2H]- 442.24759 203.5
[M]+ 421.27237 199.8
[M]- 421.27347 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.