CID 71919

Niaprazine

Structural Information

Molecular Formula
C20H25FN4O
SMILES
CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)
InChIKey
RSKQGBFMNPDPLR-UHFFFAOYSA-N
Compound name
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

18
References

1845
Patents

356.20123 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.208506 187.1
[M+Na]+ 379.190448 189.9
[M-H]- 355.193954 189.7
[M+NH4]+ 374.235053 194.3
[M+K]+ 395.164388 184.1
[M+H-H2O]+ 339.198490 173.9
[M+HCOO]- 401.199431 200.6
[M+CH3COO]- 415.215081 217.1
[M+Na-2H]- 377.175896 187.8
[M]+ 356.20068142 181.1
[M]- 356.20177858 181.1
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