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]+ 421.187026 200.7
[M+Na]+ 443.168968 204.9
[M-H]- 419.172474 207.8
[M+NH4]+ 438.213573 208.5
[M+K]+ 459.142908 200.3
[M+H-H2O]+ 403.177010 189.2
[M+HCOO]- 465.177951 222.8
[M+CH3COO]- 479.193601 229.3
[M+Na-2H]- 441.154416 201.0
[M]+ 420.17920142 203.7
[M]- 420.18029858 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.