CID 362316

Nsc625952

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)N
InChI
InChI=1S/C19H17NO4/c1-9-4-5-12(7-14(9)20)16-8-15(21)13-6-10(2)11(3)17(19(22)23)18(13)24-16/h4-8H,20H2,1-3H3,(H,22,23)
InChIKey
UJCVZABZNYUPGN-UHFFFAOYSA-N
Compound name
2-(3-amino-4-methylphenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 175.8
[M+Na]+ 346.104968 186.6
[M-H]- 322.108474 184.0
[M+NH4]+ 341.149573 189.3
[M+K]+ 362.078908 183.1
[M+H-H2O]+ 306.113010 167.9
[M+HCOO]- 368.113951 196.1
[M+CH3COO]- 382.129601 213.7
[M+Na-2H]- 344.090416 177.7
[M]+ 323.11520142 179.0
[M]- 323.11629858 179.0
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.