CID 104093

2-((4-amino-2-methoxyphenyl)amino)-5-((2-hydroxyethyl)amino)-2,5-cyclohexa-2,5-diene-1,4-dione

Structural Information

Molecular Formula
C15H17N3O4
SMILES
COC1=C(C=CC(=C1)N)NC2=CC(=O)C(=CC2=O)NCCO
InChI
InChI=1S/C15H17N3O4/c1-22-15-6-9(16)2-3-10(15)18-12-8-13(20)11(7-14(12)21)17-4-5-19/h2-3,6-8,17-19H,4-5,16H2,1H3
InChIKey
IWPXDARCGZFFAD-UHFFFAOYSA-N
Compound name
2-(4-amino-2-methoxyanilino)-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

539
Patents

303.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 167.3
[M+Na]+ 326.111138 174.0
[M-H]- 302.114644 172.7
[M+NH4]+ 321.155743 180.6
[M+K]+ 342.085078 170.4
[M+H-H2O]+ 286.119180 158.9
[M+HCOO]- 348.120121 191.8
[M+CH3COO]- 362.135771 211.1
[M+Na-2H]- 324.096586 170.1
[M]+ 303.12137142 166.6
[M]- 303.12246858 166.6
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