CID 65619

Niprofazone

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CNC(=O)C3=CN=CC=C3)C(C)C
InChI
InChI=1S/C21H25N5O2/c1-15(2)25(14-23-20(27)17-9-8-12-22-13-17)19-16(3)24(4)26(21(19)28)18-10-6-5-7-11-18/h5-13,15H,14H2,1-4H3,(H,23,27)
InChIKey
MZQAQBDIKUFBSF-UHFFFAOYSA-N
Compound name
N-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-propan-2-ylamino]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

379.20084 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 191.3
[M+Na]+ 402.19006 203.4
[M+NH4]+ 397.23466 196.3
[M+K]+ 418.16400 199.6
[M-H]- 378.19356 195.7
[M+Na-2H]- 400.17551 199.1
[M]+ 379.20029 194.0
[M]- 379.20139 194.0
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