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]+ 464.229226 213.6
[M+Na]+ 486.211168 217.8
[M-H]- 462.214674 221.3
[M+NH4]+ 481.255773 219.8
[M+K]+ 502.185108 213.2
[M+H-H2O]+ 446.219210 202.3
[M+HCOO]- 508.220151 235.2
[M+CH3COO]- 522.235801 242.9
[M+Na-2H]- 484.196616 211.1
[M]+ 463.22140142 216.2
[M]- 463.22249858 216.2
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.