CID 3062542

Brn 6426216

Structural Information

Molecular Formula
C11H20ClN3O5
SMILES
C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)NC(=O)N(CCCl)N=O)OC
InChI
InChI=1S/C11H20ClN3O5/c1-7-10(19-3)8(6-9(18-2)20-7)13-11(16)15(14-17)5-4-12/h7-10H,4-6H2,1-3H3,(H,13,16)/t7-,8-,9+,10-/m1/s1
InChIKey
IESPLVVSEPQBSU-DOLQZWNJSA-N
Compound name
1-(2-chloroethyl)-3-[(2R,3S,4R,6S)-3,6-dimethoxy-2-methyloxan-4-yl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.10916 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11644 169.6
[M+Na]+ 332.09838 174.6
[M-H]- 308.10188 176.0
[M+NH4]+ 327.14298 184.5
[M+K]+ 348.07232 176.1
[M+H-H2O]+ 292.10642 162.8
[M+HCOO]- 354.10736 189.2
[M+CH3COO]- 368.12301 215.3
[M+Na-2H]- 330.08383 171.8
[M]+ 309.10861 175.6
[M]- 309.10971 175.6
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

No patent data available for this compound.