CID 11403922

Cyproheptadine n-oxide

Structural Information

Molecular Formula
C21H21NO
SMILES
C[N+]1(CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1)[O-]
InChI
InChI=1S/C21H21NO/c1-22(23)14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
InChIKey
AIAORTASLOWFGX-UHFFFAOYSA-N
Compound name
1-methyl-1-oxido-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

303.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 176.5
[M+Na]+ 326.15154 191.5
[M+NH4]+ 321.19614 187.4
[M+K]+ 342.12548 182.5
[M-H]- 302.15504 183.0
[M+Na-2H]- 324.13699 184.9
[M]+ 303.16177 180.9
[M]- 303.16287 180.9
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

patents stripe