CID 13426057

96935-37-4

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCCCN1C(=CC(=NC(=O)C2=CC=CC=C2O)N1C3=CC=CC=C3)C
InChI
InChI=1S/C21H23N3O2/c1-3-4-14-23-16(2)15-20(24(23)17-10-6-5-7-11-17)22-21(26)18-12-8-9-13-19(18)25/h5-13,15,25H,3-4,14H2,1-2H3
InChIKey
JFWCFTCDDRQRAJ-UHFFFAOYSA-N
Compound name
N-(1-butyl-5-methyl-2-phenylpyrazol-3-ylidene)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.2
[M+Na]+ 372.16824 192.9
[M-H]- 348.17174 192.9
[M+NH4]+ 367.21284 197.1
[M+K]+ 388.14218 187.0
[M+H-H2O]+ 332.17628 174.8
[M+HCOO]- 394.17722 207.5
[M+CH3COO]- 408.19287 215.7
[M+Na-2H]- 370.15369 185.7
[M]+ 349.17847 187.4
[M]- 349.17957 187.4
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.