CID 135409213

Nsc667001

Structural Information

Molecular Formula
C15H15NO5
SMILES
CC(C)(C)OC(=O)/N=C/C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C15H15NO5/c1-15(2,3)21-14(19)16-8-10-12(17)9-6-4-5-7-11(9)20-13(10)18/h4-8,17H,1-3H3/b16-8+
InChIKey
MVLUSZNPRFSHMP-LZYBPNLTSA-N
Compound name
tert-butyl (NE)-N-[(4-hydroxy-2-oxochromen-3-yl)methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 162.8
[M+Na]+ 312.08425 171.8
[M-H]- 288.08775 168.8
[M+NH4]+ 307.12885 178.4
[M+K]+ 328.05819 171.0
[M+H-H2O]+ 272.09229 156.2
[M+HCOO]- 334.09323 184.4
[M+CH3COO]- 348.10888 202.2
[M+Na-2H]- 310.06970 170.2
[M]+ 289.09448 168.4
[M]- 289.09558 168.4
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.