CID 1590157

329934-35-2

Structural Information

Molecular Formula
C20H18N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N4O3/c1-15-19(20(25)23(22(15)2)17-8-4-3-5-9-17)21-14-6-7-16-10-12-18(13-11-16)24(26)27/h3-14H,1-2H3/b7-6+,21-14?
InChIKey
HUADMVQNJRNFTL-VJHKLOOISA-N
Compound name
1,5-dimethyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.13788 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14516 187.1
[M+Na]+ 385.12710 194.9
[M-H]- 361.13060 196.5
[M+NH4]+ 380.17170 198.2
[M+K]+ 401.10104 184.8
[M+H-H2O]+ 345.13514 180.8
[M+HCOO]- 407.13608 212.8
[M+CH3COO]- 421.15173 213.9
[M+Na-2H]- 383.11255 190.9
[M]+ 362.13733 187.9
[M]- 362.13843 187.9
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.