CID 71127

Prozapine

Structural Information

Molecular Formula
C21H27N
SMILES
C1CCCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2
InChIKey
QSEKJQWRMSJZDE-UHFFFAOYSA-N
Compound name
1-(3,3-diphenylpropyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

679
Patents

293.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 172.2
[M+Na]+ 316.20358 172.6
[M-H]- 292.20708 179.1
[M+NH4]+ 311.24818 184.0
[M+K]+ 332.17752 171.6
[M+H-H2O]+ 276.21162 163.3
[M+HCOO]- 338.21256 188.4
[M+CH3COO]- 352.22821 180.4
[M+Na-2H]- 314.18903 174.3
[M]+ 293.21381 163.7
[M]- 293.21491 163.7
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.