CID 218375

Brn 0730497

Structural Information

Molecular Formula
C25H29N5O4
SMILES
CCCCCNC(=O)C(=O)NC1=CC=CC=C1C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C25H29N5O4/c1-4-5-11-16-26-23(32)24(33)27-20-15-10-9-14-19(20)22(31)28-21-17(2)29(3)30(25(21)34)18-12-7-6-8-13-18/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)
InChIKey
DPCLVIITUWQPLU-UHFFFAOYSA-N
Compound name
N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-pentyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.22195 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22923 213.9
[M+Na]+ 486.21117 223.0
[M+NH4]+ 481.25577 216.4
[M+K]+ 502.18511 219.9
[M-H]- 462.21467 217.3
[M+Na-2H]- 484.19662 218.8
[M]+ 463.22140 215.5
[M]- 463.22250 215.5
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.