CID 72088

Feprosidnine

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(CC1=CC=CC=C1)[N+]2=CC(=N)O[N-]2
InChI
InChI=1S/C11H13N3O/c1-9(14-8-11(12)15-13-14)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3
InChIKey
HFLCEELTJROKMJ-UHFFFAOYSA-N
Compound name
3-(1-phenylpropan-2-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

99
Patents

203.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.7
[M+Na]+ 226.095088 150.7
[M-H]- 202.098594 147.2
[M+NH4]+ 221.139693 159.0
[M+K]+ 242.069028 143.1
[M+H-H2O]+ 186.103130 140.3
[M+HCOO]- 248.104071 165.7
[M+CH3COO]- 262.119721 176.4
[M+Na-2H]- 224.080536 151.6
[M]+ 203.10532142 139.8
[M]- 203.10641858 139.8
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.