CID 3021983

92393-02-7

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=O)C(=CN2C3=CC=C(C=C3)O)C(=O)O
InChI
InChI=1S/C20H18N2O4/c1-21(2)14-5-3-13(4-6-14)18-11-19(24)17(20(25)26)12-22(18)15-7-9-16(23)10-8-15/h3-12,23H,1-2H3,(H,25,26)
InChIKey
ISEQDRWCZQRMAJ-UHFFFAOYSA-N
Compound name
6-[4-(dimethylamino)phenyl]-1-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

350.12665 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 181.1
[M+Na]+ 373.11587 188.9
[M-H]- 349.11937 189.1
[M+NH4]+ 368.16047 191.4
[M+K]+ 389.08981 184.7
[M+H-H2O]+ 333.12391 171.1
[M+HCOO]- 395.12485 201.8
[M+CH3COO]- 409.14050 216.1
[M+Na-2H]- 371.10132 182.6
[M]+ 350.12610 182.5
[M]- 350.12720 182.5
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