CID 3047137

62951-81-9

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N(C)C
InChI
InChI=1S/C22H26N4O2/c1-16-20(22(28)26(25(16)4)18-13-9-6-10-14-18)23-21(27)19(24(2)3)15-17-11-7-5-8-12-17/h5-14,19H,15H2,1-4H3,(H,23,27)
InChIKey
NLPBUFJVBPQVMA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 192.7
[M+Na]+ 401.19479 198.6
[M-H]- 377.19829 201.8
[M+NH4]+ 396.23939 203.5
[M+K]+ 417.16873 194.6
[M+H-H2O]+ 361.20283 181.8
[M+HCOO]- 423.20377 215.1
[M+CH3COO]- 437.21942 228.6
[M+Na-2H]- 399.18024 191.7
[M]+ 378.20502 195.3
[M]- 378.20612 195.3
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.