CID 142441856

Vonifimod

Structural Information

Molecular Formula
C17H34N4O2
SMILES
CCCCCCCCCCN1C=C(N=N1)CCC(CO)(CO)N
InChI
InChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-12-21-13-16(19-20-21)10-11-17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3
InChIKey
LTSWFNFQPMMTIG-UHFFFAOYSA-N
Compound name
2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

326.2682 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27548 183.6
[M+Na]+ 349.25742 189.4
[M+NH4]+ 344.30202 186.7
[M+K]+ 365.23136 186.5
[M-H]- 325.26092 180.5
[M+Na-2H]- 347.24287 183.8
[M]+ 326.26765 182.9
[M]- 326.26875 182.9
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