CID 38703

40890-96-8

Structural Information

Molecular Formula
C13H18FN3O2
SMILES
CN1CCN(CC1)CN(C(=O)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C13H18FN3O2/c1-15-6-8-16(9-7-15)10-17(19)13(18)11-2-4-12(14)5-3-11/h2-5,19H,6-10H2,1H3
InChIKey
CWQLKDMTAQKSEX-UHFFFAOYSA-N
Compound name
4-fluoro-N-hydroxy-N-[(4-methylpiperazin-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.145576 161.1
[M+Na]+ 290.127518 165.7
[M-H]- 266.131024 163.0
[M+NH4]+ 285.172123 174.0
[M+K]+ 306.101458 163.3
[M+H-H2O]+ 250.135560 151.0
[M+HCOO]- 312.136501 177.4
[M+CH3COO]- 326.152151 199.7
[M+Na-2H]- 288.112966 162.8
[M]+ 267.13775142 156.3
[M]- 267.13884858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.