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]+ 324.12303 175.8
[M+Na]+ 346.10497 186.6
[M-H]- 322.10847 184.0
[M+NH4]+ 341.14957 189.3
[M+K]+ 362.07891 183.1
[M+H-H2O]+ 306.11301 167.9
[M+HCOO]- 368.11395 196.1
[M+CH3COO]- 382.12960 213.7
[M+Na-2H]- 344.09042 177.7
[M]+ 323.11520 179.0
[M]- 323.11630 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.