CID 3038283

Brn 0798582

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]+ 256.14444 161.4
[M+Na]+ 278.12638 173.3
[M+NH4]+ 273.17098 168.7
[M+K]+ 294.10032 170.0
[M-H]- 254.12988 164.5
[M+Na-2H]- 276.11183 167.8
[M]+ 255.13661 163.7
[M]- 255.13771 163.7
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.