CID 6157236

Nsc634625

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C23H21N3O2/c1-16-15-26(16)22-20(19(27)14-13-17-9-5-3-6-10-17)21(24-25(2)23(22)28)18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3/b14-13+
InChIKey
UAUASWCMCCWKAF-BUHFOSPRSA-N
Compound name
2-methyl-4-(2-methylaziridin-1-yl)-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 197.6
[M+Na]+ 394.15262 207.9
[M-H]- 370.15612 206.6
[M+NH4]+ 389.19722 200.9
[M+K]+ 410.12656 199.4
[M+H-H2O]+ 354.16066 185.8
[M+HCOO]- 416.16160 216.6
[M+CH3COO]- 430.17725 206.4
[M+Na-2H]- 392.13807 197.9
[M]+ 371.16285 200.8
[M]- 371.16395 200.8
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.