CID 154699483

5-hydroxy-tsu-68

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CC1=C(NC(=C1CCC(=O)O)C)/C=C\2/C3=C(C=CC(=C3)O)NC2=O
InChI
InChI=1S/C18H18N2O4/c1-9-12(4-6-17(22)23)10(2)19-16(9)8-14-13-7-11(21)3-5-15(13)20-18(14)24/h3,5,7-8,19,21H,4,6H2,1-2H3,(H,20,24)(H,22,23)/b14-8-
InChIKey
APJYZRJDCRLKDI-ZSOIEALJSA-N
Compound name
3-[5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 178.9
[M+Na]+ 349.11587 188.3
[M+NH4]+ 344.16047 183.1
[M+K]+ 365.08981 187.8
[M-H]- 325.11937 177.8
[M+Na-2H]- 347.10132 179.1
[M]+ 326.12610 179.3
[M]- 326.12720 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.