CID 92211283

(-)-phccc

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1[C@@H]\2[C@]1(OC3=CC=CC=C3/C2=N\O)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15+/t13-,17-/m0/s1
InChIKey
FPXPIEZPAXSELW-QLYAPRMXSA-N
Compound name
(1aS,7Z,7aS)-7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

68
Patents

294.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 163.1
[M+Na]+ 317.089648 172.1
[M-H]- 293.093154 172.6
[M+NH4]+ 312.134253 175.5
[M+K]+ 333.063588 169.2
[M+H-H2O]+ 277.097690 155.8
[M+HCOO]- 339.098631 184.0
[M+CH3COO]- 353.114281 174.6
[M+Na-2H]- 315.075096 172.7
[M]+ 294.09988142 165.7
[M]- 294.10097858 165.7
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.