CID 3038283

24664-56-0

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC\1=NN(C(=O)/C1=C\N2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O/c1-12-14(11-17-9-5-6-10-17)15(19)18(16-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3/b14-11-
InChIKey
WHNGAXRFVNWKEE-KAMYIIQDSA-N
Compound name
(4Z)-5-methyl-2-phenyl-4-(pyrrolidin-1-ylmethylidene)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 160.3
[M+Na]+ 278.126378 167.9
[M-H]- 254.129884 166.2
[M+NH4]+ 273.170983 176.5
[M+K]+ 294.100318 163.3
[M+H-H2O]+ 238.134420 150.8
[M+HCOO]- 300.135361 179.6
[M+CH3COO]- 314.151011 171.7
[M+Na-2H]- 276.111826 159.1
[M]+ 255.13661142 157.2
[M]- 255.13770858 157.2
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.