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 185.4
[M+Na]+ 385.12710 200.6
[M+NH4]+ 380.17170 191.3
[M+K]+ 401.10104 196.8
[M-H]- 361.13060 191.7
[M+Na-2H]- 383.11255 193.9
[M]+ 362.13733 189.1
[M]- 362.13843 189.1
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.