CID 218377

Brn 0731382

Structural Information

Molecular Formula
C24H28N6O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)C(=O)NCCN(C)C
InChI
InChI=1S/C24H28N6O4/c1-16-20(24(34)30(29(16)4)17-10-6-5-7-11-17)27-21(31)18-12-8-9-13-19(18)26-23(33)22(32)25-14-15-28(2)3/h5-13H,14-15H2,1-4H3,(H,25,32)(H,26,33)(H,27,31)
InChIKey
UROBZIUXFMBPGV-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-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

464.2172 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22448 212.4
[M+Na]+ 487.20642 216.3
[M-H]- 463.20992 221.9
[M+NH4]+ 482.25102 218.9
[M+K]+ 503.18036 213.6
[M+H-H2O]+ 447.21446 201.0
[M+HCOO]- 509.21540 235.9
[M+CH3COO]- 523.23105 248.4
[M+Na-2H]- 485.19187 210.6
[M]+ 464.21665 215.3
[M]- 464.21775 215.3
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.