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

17
Patents

303.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.169596 175.7
[M+Na]+ 326.151538 180.9
[M-H]- 302.155044 181.7
[M+NH4]+ 321.196143 191.1
[M+K]+ 342.125478 172.7
[M+H-H2O]+ 286.159580 172.1
[M+HCOO]- 348.160521 190.3
[M+CH3COO]- 362.176171 197.0
[M+Na-2H]- 324.136986 181.7
[M]+ 303.16177142 165.9
[M]- 303.16286858 165.9
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