CID 135434250

5,6-dihydroxy-2-[2-(indan-1-ylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C21H18N4O5
SMILES
C1CC2=CC=CC=C2C1NC(=O)NC3=CC=CC=C3C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C21H18N4O5/c26-17-16(20(28)29)24-18(25-19(17)27)13-7-3-4-8-14(13)22-21(30)23-15-10-9-11-5-1-2-6-12(11)15/h1-8,15,26H,9-10H2,(H,28,29)(H2,22,23,30)(H,24,25,27)
InChIKey
DNEMKATWQGHJML-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13500 190.5
[M+Na]+ 429.11694 196.0
[M-H]- 405.12044 195.6
[M+NH4]+ 424.16154 197.9
[M+K]+ 445.09088 190.4
[M+H-H2O]+ 389.12498 181.0
[M+HCOO]- 451.12592 207.1
[M+CH3COO]- 465.14157 221.7
[M+Na-2H]- 427.10239 191.8
[M]+ 406.12717 187.5
[M]- 406.12827 187.5
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

No patent data available for this compound.