CID 135409214

Nsc667002

Structural Information

Molecular Formula
C17H11NO5
SMILES
C1=CC=C(C=C1)OC(=O)/N=C/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H11NO5/c19-15-12-8-4-5-9-14(12)23-16(20)13(15)10-18-17(21)22-11-6-2-1-3-7-11/h1-10,19H/b18-10+
InChIKey
RUIMCHYMTLKUCZ-VCHYOVAHSA-N
Compound name
phenyl (NE)-N-[(4-hydroxy-2-oxochromen-3-yl)methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.06372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07100 166.7
[M+Na]+ 332.05294 175.7
[M-H]- 308.05644 175.7
[M+NH4]+ 327.09754 180.7
[M+K]+ 348.02688 173.5
[M+H-H2O]+ 292.06098 158.1
[M+HCOO]- 354.06192 190.5
[M+CH3COO]- 368.07757 204.7
[M+Na-2H]- 330.03839 174.3
[M]+ 309.06317 170.8
[M]- 309.06427 170.8
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.