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]+ 268.14558 161.1
[M+Na]+ 290.12752 165.7
[M-H]- 266.13102 163.0
[M+NH4]+ 285.17212 174.0
[M+K]+ 306.10146 163.3
[M+H-H2O]+ 250.13556 151.0
[M+HCOO]- 312.13650 177.4
[M+CH3COO]- 326.15215 199.7
[M+Na-2H]- 288.11297 162.8
[M]+ 267.13775 156.3
[M]- 267.13885 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.