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

literature stripe

Patent stripe

patents stripe