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

98
Patents

203.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.7
[M+Na]+ 226.09509 150.7
[M-H]- 202.09859 147.2
[M+NH4]+ 221.13969 159.0
[M+K]+ 242.06903 143.1
[M+H-H2O]+ 186.10313 140.3
[M+HCOO]- 248.10407 165.7
[M+CH3COO]- 262.11972 176.4
[M+Na-2H]- 224.08054 151.6
[M]+ 203.10532 139.8
[M]- 203.10642 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.