CID 3063355

Brn 5690323

Structural Information

Molecular Formula
C34H28N4O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)N(C(=O)C4(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O
InChI
InChI=1S/C34H28N4O5/c1-22-30(32(42)38(36(22)2)25-17-10-5-11-18-25)35-31(41)26-19-12-20-27-29(26)34(23-13-6-3-7-14-23,24-15-8-4-9-16-24)33(43)37(27)21-28(39)40/h3-20H,21H2,1-2H3,(H,35,41)(H,39,40)
InChIKey
IGIKZCBCVYLYLY-UHFFFAOYSA-N
Compound name
2-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.206 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.21328 236.0
[M+Na]+ 595.19522 242.5
[M-H]- 571.19872 249.2
[M+NH4]+ 590.23982 239.9
[M+K]+ 611.16916 235.9
[M+H-H2O]+ 555.20326 223.6
[M+HCOO]- 617.20420 251.5
[M+CH3COO]- 631.21985 242.2
[M+Na-2H]- 593.18067 231.1
[M]+ 572.20545 238.1
[M]- 572.20655 238.1
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.