CID 3042310

Brn 1403180

Structural Information

Molecular Formula
C15H29N3O7
SMILES
CCCCN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCCCC)CO)O)O)N=O
InChI
InChI=1S/C15H29N3O7/c1-3-5-7-18(17-23)15(22)16-11-13(21)12(20)10(9-19)25-14(11)24-8-6-4-2/h10-14,19-21H,3-9H2,1-2H3,(H,16,22)/t10-,11-,12-,13-,14+/m1/s1
InChIKey
DTEWXVFKXYHYNL-KSTCHIGDSA-N
Compound name
3-[(2S,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-butyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.20056 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20784 186.1
[M+Na]+ 386.18978 189.3
[M+NH4]+ 381.23438 188.0
[M+K]+ 402.16372 188.4
[M-H]- 362.19328 185.6
[M+Na-2H]- 384.17523 183.5
[M]+ 363.20001 185.4
[M]- 363.20111 185.4
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

No patent data available for this compound.