CID 6888721

634899-23-3

Structural Information

Molecular Formula
C23H24N4O4
SMILES
CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C23H24N4O4/c1-3-4-13-31-19-11-9-17(10-12-19)20-14-21(26-25-20)22(28)27-24-15-16-5-7-18(8-6-16)23(29)30-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)(H,27,28)/b24-15+
InChIKey
ZNAPYBSEGZZARO-BUVRLJJBSA-N
Compound name
methyl 4-[(E)-[[3-(4-butoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17975 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18703 200.7
[M+Na]+ 443.16897 204.9
[M-H]- 419.17247 207.8
[M+NH4]+ 438.21357 208.5
[M+K]+ 459.14291 200.3
[M+H-H2O]+ 403.17701 189.2
[M+HCOO]- 465.17795 222.8
[M+CH3COO]- 479.19360 229.3
[M+Na-2H]- 441.15442 201.0
[M]+ 420.17920 203.7
[M]- 420.18030 203.7
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.