CID 207856

1,2-dihydro-4-[[(2-hydroxyphenyl)methylene]amino]-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3O
InChI
InChI=1S/C18H17N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-12,22H,1-2H3
InChIKey
DUFMMDXSTAJOPL-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 171.7
[M+Na]+ 330.12130 181.9
[M-H]- 306.12480 180.2
[M+NH4]+ 325.16590 185.7
[M+K]+ 346.09524 176.1
[M+H-H2O]+ 290.12934 162.0
[M+HCOO]- 352.13028 195.9
[M+CH3COO]- 366.14593 207.8
[M+Na-2H]- 328.10675 174.1
[M]+ 307.13153 173.9
[M]- 307.13263 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.