CID 3017692

Hc yellow no. 8

Structural Information

Molecular Formula
C15H13ClN2O4
SMILES
CC(=O)NC1=CC(=C(C=C1N=C2C=CC(=O)C=C2Cl)OC)O
InChI
InChI=1S/C15H13ClN2O4/c1-8(19)17-12-6-14(21)15(22-2)7-13(12)18-11-4-3-9(20)5-10(11)16/h3-7,21H,1-2H3,(H,17,19)
InChIKey
DNCKSSGISBCYQW-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-5-hydroxy-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

685
Patents

320.0564 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06368 169.6
[M+Na]+ 343.04562 178.7
[M-H]- 319.04912 177.2
[M+NH4]+ 338.09022 184.7
[M+K]+ 359.01956 174.4
[M+H-H2O]+ 303.05366 162.8
[M+HCOO]- 365.05460 190.1
[M+CH3COO]- 379.07025 210.8
[M+Na-2H]- 341.03107 171.8
[M]+ 320.05585 173.4
[M]- 320.05695 173.4
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

patents stripe