CID 71153

Fluprazine

Structural Information

Molecular Formula

C₁₄H₁₉F₃N₄O

SMILES

C1CN(CCN1CCNC(=O)N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H19F3N4O/c15-14(16,17)11-2-1-3-12(10-11)21-8-6-20(7-9-21)5-4-19-13(18)22/h1-3,10H,4-9H2,(H3,18,19,22)

InChIKey

CHQKHXJPWDSTPY-UHFFFAOYSA-N

Compound name

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 27
References: 81
Patents: 316.1511 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.15838	172.2
[M+Na]+	339.14032	176.6
[M-H]-	315.14382	170.8
[M+NH4]+	334.18492	182.8
[M+K]+	355.11426	172.1
[M+H-H2O]+	299.14836	160.4
[M+HCOO]-	361.14930	185.7
[M+CH3COO]-	375.16495	209.4
[M+Na-2H]-	337.12577	173.7
[M]+	316.15055	162.5
[M]-	316.15165	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe