CID 68753

Isamfazone

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-17(15-18-9-5-3-6-10-18)24(2)22(27)16-25-21(26)14-13-20(23-25)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3
InChIKey
JKNDAGNFBPJGEF-UHFFFAOYSA-N
Compound name
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

361.17902 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 187.9
[M+Na]+ 384.16824 193.0
[M-H]- 360.17174 195.7
[M+NH4]+ 379.21284 197.0
[M+K]+ 400.14218 188.5
[M+H-H2O]+ 344.17628 176.0
[M+HCOO]- 406.17722 208.2
[M+CH3COO]- 420.19287 221.3
[M+Na-2H]- 382.15369 190.3
[M]+ 361.17847 189.2
[M]- 361.17957 189.2
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

patents stripe