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 185.0
[M+Na]+ 349.25742 188.1
[M-H]- 325.26092 180.1
[M+NH4]+ 344.30202 195.1
[M+K]+ 365.23136 183.7
[M+H-H2O]+ 309.26546 175.9
[M+HCOO]- 371.26640 199.9
[M+CH3COO]- 385.28205 208.3
[M+Na-2H]- 347.24287 185.4
[M]+ 326.26765 187.2
[M]- 326.26875 187.2
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