CID 5831413

Nsc634626

Structural Information

Molecular Formula
C24H23N3O3
SMILES
CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H23N3O3/c1-16-15-27(16)23-21(20(28)14-11-17-9-12-19(30-3)13-10-17)22(25-26(2)24(23)29)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3/b14-11+
InChIKey
OYRAFGCWMBNYEL-SDNWHVSQSA-N
Compound name
5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-4-(2-methylaziridin-1-yl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.17395 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 205.4
[M+Na]+ 424.16317 215.9
[M-H]- 400.16667 214.6
[M+NH4]+ 419.20777 207.7
[M+K]+ 440.13711 207.7
[M+H-H2O]+ 384.17121 193.5
[M+HCOO]- 446.17215 224.1
[M+CH3COO]- 460.18780 227.0
[M+Na-2H]- 422.14862 204.5
[M]+ 401.17340 210.7
[M]- 401.17450 210.7
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.