CID 135474265

Nosantine

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C1N=CNC2=O
InChI
InChI=1S/C14H22N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8-11,19H,3-7H2,1-2H3,(H,15,16,20)/t10-,11+/m1/s1
InChIKey
RSMDQPNZAPMDJC-MNOVXSKESA-N
Compound name
9-[(2R,3S)-2-hydroxynonan-3-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

59
Patents

278.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 167.0
[M+Na]+ 301.16352 175.1
[M-H]- 277.16702 163.8
[M+NH4]+ 296.20812 179.4
[M+K]+ 317.13746 170.3
[M+H-H2O]+ 261.17156 158.3
[M+HCOO]- 323.17250 182.2
[M+CH3COO]- 337.18815 196.8
[M+Na-2H]- 299.14897 169.2
[M]+ 278.17375 169.7
[M]- 278.17485 169.7
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