CID 514131

4-[[(3z)-1-hydroxy-3-(1-hydroxypropylidene)-2-oxo-indolin-6-yl]carbamoyl]benzoic acid

Structural Information

Molecular Formula
C19H16N2O6
SMILES
CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)O)O
InChI
InChI=1S/C19H16N2O6/c1-2-15(22)16-13-8-7-12(9-14(13)21(27)18(16)24)20-17(23)10-3-5-11(6-4-10)19(25)26/h3-9,24,27H,2H2,1H3,(H,20,23)(H,25,26)
InChIKey
IPADHMGAIBZTLE-UHFFFAOYSA-N
Compound name
4-[(1,2-dihydroxy-3-propanoylindol-6-yl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.10083 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10811 182.1
[M+Na]+ 391.09005 189.7
[M-H]- 367.09355 185.9
[M+NH4]+ 386.13465 193.3
[M+K]+ 407.06399 185.9
[M+H-H2O]+ 351.09809 174.6
[M+HCOO]- 413.09903 200.4
[M+CH3COO]- 427.11468 214.1
[M+Na-2H]- 389.07550 181.8
[M]+ 368.10028 184.8
[M]- 368.10138 184.8
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.