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
4
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]+ 380.208116 192.1
[M+Na]+ 402.190058 198.5
[M-H]- 378.193564 200.1
[M+NH4]+ 397.234663 201.5
[M+K]+ 418.163998 194.4
[M+H-H2O]+ 362.198100 180.7
[M+HCOO]- 424.199041 213.5
[M+CH3COO]- 438.214691 228.3
[M+Na-2H]- 400.175506 191.8
[M]+ 379.20029142 194.9
[M]- 379.20138858 194.9
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