CID 218376

Brn 0733282

Structural Information

Molecular Formula
C27H25N5O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C27H25N5O4/c1-18-23(27(36)32(31(18)2)20-13-7-4-8-14-20)30-24(33)21-15-9-10-16-22(21)29-26(35)25(34)28-17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)
InChIKey
QJBFJNVATPKEBI-UHFFFAOYSA-N
Compound name
N-benzyl-N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.19064 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.19792 215.8
[M+Na]+ 506.17986 220.1
[M-H]- 482.18336 226.8
[M+NH4]+ 501.22446 220.5
[M+K]+ 522.15380 214.9
[M+H-H2O]+ 466.18790 203.6
[M+HCOO]- 528.18884 237.7
[M+CH3COO]- 542.20449 245.0
[M+Na-2H]- 504.16531 214.9
[M]+ 483.19009 216.5
[M]- 483.19119 216.5
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.