CID 218372

Brn 0725812

Structural Information

Molecular Formula
C21H21N5O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)C(=O)NC
InChI
InChI=1S/C21H21N5O4/c1-13-17(21(30)26(25(13)3)14-9-5-4-6-10-14)24-18(27)15-11-7-8-12-16(15)23-20(29)19(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,29)(H,24,27)
InChIKey
JBODHDJYTNYJRQ-UHFFFAOYSA-N
Compound name
N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.15936 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.16664 196.4
[M+Na]+ 430.14858 202.5
[M-H]- 406.15208 205.0
[M+NH4]+ 425.19318 205.0
[M+K]+ 446.12252 198.7
[M+H-H2O]+ 390.15662 185.9
[M+HCOO]- 452.15756 219.4
[M+CH3COO]- 466.17321 231.3
[M+Na-2H]- 428.13403 195.9
[M]+ 407.15881 197.8
[M]- 407.15991 197.8
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.