CID 5866327

Phccc

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1C\2C1(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-
InChIKey
FPXPIEZPAXSELW-CYVLTUHYSA-N
Compound name
(7E)-7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

88
Patents

294.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 163.1
[M+Na]+ 317.08965 172.1
[M-H]- 293.09315 172.6
[M+NH4]+ 312.13425 175.5
[M+K]+ 333.06359 169.2
[M+H-H2O]+ 277.09769 155.8
[M+HCOO]- 339.09863 184.0
[M+CH3COO]- 353.11428 174.6
[M+Na-2H]- 315.07510 172.7
[M]+ 294.09988 165.7
[M]- 294.10098 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

literature stripe

Patent stripe

patents stripe