CID 218384

Brn 0733106

Structural Information

Molecular Formula
C26H32N6O4
SMILES
CCN(CC)CCNC(=O)C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C26H32N6O4/c1-5-31(6-2)17-16-27-24(34)25(35)28-20-14-12-19(13-15-20)23(33)29-22-18(3)30(4)32(26(22)36)21-10-8-7-9-11-21/h7-15H,5-6,16-17H2,1-4H3,(H,27,34)(H,28,35)(H,29,33)
InChIKey
PPONVPUNHLWMRZ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N'-[4-[(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

492.2485 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.25578 220.9
[M+Na]+ 515.23772 223.8
[M-H]- 491.24122 229.9
[M+NH4]+ 510.28232 226.2
[M+K]+ 531.21166 220.8
[M+H-H2O]+ 475.24576 209.1
[M+HCOO]- 537.24670 243.7
[M+CH3COO]- 551.26235 254.1
[M+Na-2H]- 513.22317 218.2
[M]+ 492.24795 224.4
[M]- 492.24905 224.4
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.