CID 51003457

Kp-1461

Structural Information

Molecular Formula
C16H28N4O6
SMILES
CCCCCCCOC(=O)NC1=NCN(C(=O)N1)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1
InChIKey
SZWIAFVYPPMZML-YNEHKIRRSA-N
Compound name
heptyl N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

924
Patents

372.2009 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20818 190.4
[M+Na]+ 395.19012 195.1
[M+NH4]+ 390.23472 191.6
[M+K]+ 411.16406 195.4
[M-H]- 371.19362 188.6
[M+Na-2H]- 393.17557 187.8
[M]+ 372.20035 189.6
[M]- 372.20145 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe