CID 386800

Nsc679508

Structural Information

Molecular Formula
C23H25N5O3
SMILES
CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C)C
InChI
InChI=1S/C23H25N5O3/c1-14-6-7-19(12-15(14)2)25-26-23-16(3)27-28(17(23)4)22(30)13-21(29)24-18-8-10-20(31-5)11-9-18/h6-12H,13H2,1-5H3,(H,24,29)
InChIKey
ATRWWZLIIDAYME-UHFFFAOYSA-N
Compound name
3-[4-[(3,4-dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.19574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 203.7
[M+Na]+ 442.18496 210.9
[M-H]- 418.18846 214.7
[M+NH4]+ 437.22956 213.6
[M+K]+ 458.15890 207.3
[M+H-H2O]+ 402.19300 192.2
[M+HCOO]- 464.19394 229.5
[M+CH3COO]- 478.20959 240.8
[M+Na-2H]- 440.17041 203.0
[M]+ 419.19519 209.6
[M]- 419.19629 209.6
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.