CID 3037965

Brn 0754886

Structural Information

Molecular Formula
C18H17N3O
SMILES
CN(C)/C=C\1/C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O/c1-20(2)13-16-17(14-9-5-3-6-10-14)19-21(18(16)22)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-
InChIKey
CDHLHRHJQPAXLI-SSZFMOIBSA-N
Compound name
(4Z)-4-(dimethylaminomethylidene)-2,5-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13718 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 168.7
[M+Na]+ 314.12640 176.4
[M-H]- 290.12990 177.4
[M+NH4]+ 309.17100 183.3
[M+K]+ 330.10034 171.5
[M+H-H2O]+ 274.13444 158.5
[M+HCOO]- 336.13538 191.9
[M+CH3COO]- 350.15103 180.4
[M+Na-2H]- 312.11185 170.9
[M]+ 291.13663 168.6
[M]- 291.13773 168.6
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.