CID 6335348

126479-62-7

Structural Information

Molecular Formula
C16H29N4O8
SMILES
CC1(CC(CC([N+]1=O)(C)C)N(C(=O)NC2C(C(C(OC2O)CO)O)O)N=O)C
InChI
InChI=1S/C16H28N4O8/c1-15(2)5-8(6-16(3,4)20(15)27)19(18-26)14(25)17-10-12(23)11(22)9(7-21)28-13(10)24/h8-13,21-24H,5-7H2,1-4H3/p+1
InChIKey
GAIDVCXWNPPKEM-UHFFFAOYSA-O
Compound name
1-nitroso-1-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.19855 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20583 186.2
[M+Na]+ 428.18777 189.7
[M-H]- 404.19127 189.4
[M+NH4]+ 423.23237 195.9
[M+K]+ 444.16171 186.2
[M+H-H2O]+ 388.19581 183.2
[M+HCOO]- 450.19675 198.4
[M+CH3COO]- 464.21240 221.3
[M+Na-2H]- 426.17322 189.7
[M]+ 405.19800 183.5
[M]- 405.19910 183.5
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