CID 386803

Nsc679511

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC(=C3)C)C
InChI
InChI=1S/C22H23N5O2/c1-14-8-10-18(11-9-14)23-20(28)13-21(29)27-17(4)22(16(3)26-27)25-24-19-7-5-6-15(2)12-19/h5-12H,13H2,1-4H3,(H,23,28)
InChIKey
SPEZPHPQXGARGB-UHFFFAOYSA-N
Compound name
3-[3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 196.2
[M+Na]+ 412.17440 203.3
[M-H]- 388.17790 207.0
[M+NH4]+ 407.21900 207.3
[M+K]+ 428.14834 199.1
[M+H-H2O]+ 372.18244 184.8
[M+HCOO]- 434.18338 222.3
[M+CH3COO]- 448.19903 234.3
[M+Na-2H]- 410.15985 196.6
[M]+ 389.18463 200.1
[M]- 389.18573 200.1
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.