CID 6156669

Nsc634628

Structural Information

Molecular Formula
C23H20FN3O2
SMILES
CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C23H20FN3O2/c1-15-14-27(15)22-20(19(28)13-10-16-8-11-18(24)12-9-16)21(25-26(2)23(22)29)17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3/b13-10+
InChIKey
SOBGULKOHOCBQO-JLHYYAGUSA-N
Compound name
5-[(E)-3-(4-fluorophenyl)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

389.15396 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16124 199.7
[M+Na]+ 412.14318 210.9
[M-H]- 388.14668 207.7
[M+NH4]+ 407.18778 202.5
[M+K]+ 428.11712 201.8
[M+H-H2O]+ 372.15122 187.1
[M+HCOO]- 434.15216 217.6
[M+CH3COO]- 448.16781 208.2
[M+Na-2H]- 410.12863 198.8
[M]+ 389.15341 202.4
[M]- 389.15451 202.4
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.