CID 6437593

Einecs 225-974-6

Structural Information

Molecular Formula
C23H23N3O
SMILES
CC\1=NN(C(=O)/C1=C/C=C\2/C(C3=CC=CC=C3N2C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3/b18-14+,21-15-
InChIKey
VANSFRDHZRBRTF-PYBTYBIFSA-N
Compound name
(4E)-5-methyl-2-phenyl-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

357.1841 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.191376 189.3
[M+Na]+ 380.173318 199.8
[M-H]- 356.176824 197.1
[M+NH4]+ 375.217923 205.1
[M+K]+ 396.147258 191.9
[M+H-H2O]+ 340.181360 179.7
[M+HCOO]- 402.182301 207.3
[M+CH3COO]- 416.197951 199.9
[M+Na-2H]- 378.158766 186.5
[M]+ 357.18355142 189.7
[M]- 357.18464858 189.7
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.