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 184.9
[M+Na]+ 386.18978 186.6
[M-H]- 362.19328 186.6
[M+NH4]+ 381.23438 194.5
[M+K]+ 402.16372 188.1
[M+H-H2O]+ 346.19782 176.6
[M+HCOO]- 408.19876 203.3
[M+CH3COO]- 422.21441 223.0
[M+Na-2H]- 384.17523 184.0
[M]+ 363.20001 187.9
[M]- 363.20111 187.9
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.