CID 10107340

N-acetyl retigabine

Structural Information

Molecular Formula
C15H16FN3O
SMILES
CC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N
InChI
InChI=1S/C15H16FN3O/c1-10(20)19-15-7-6-13(8-14(15)17)18-9-11-2-4-12(16)5-3-11/h2-8,18H,9,17H2,1H3,(H,19,20)
InChIKey
YGNSHYRMOVKKSL-UHFFFAOYSA-N
Compound name
N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

273.12775 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13503 161.8
[M+Na]+ 296.11697 168.3
[M-H]- 272.12047 167.1
[M+NH4]+ 291.16157 177.0
[M+K]+ 312.09091 163.9
[M+H-H2O]+ 256.12501 152.8
[M+HCOO]- 318.12595 186.6
[M+CH3COO]- 332.14160 207.1
[M+Na-2H]- 294.10242 165.4
[M]+ 273.12720 158.3
[M]- 273.12830 158.3
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

patents stripe