CID 56843408

90293-50-8

Structural Information

Molecular Formula
C13H24N4O4S2
SMILES
C/C(=N\OC)/C(=N\OC(=O)N(C)SSC(C)(C)C)/C(=O)N(C)C
InChI
InChI=1S/C13H24N4O4S2/c1-9(14-20-8)10(11(18)16(5)6)15-21-12(19)17(7)23-22-13(2,3)4/h1-8H3/b14-9+,15-10+
InChIKey
SHRCWWNYYQSWTJ-AOEKMSOUSA-N
Compound name
[(E)-[(3E)-1-(dimethylamino)-3-methoxyimino-1-oxobutan-2-ylidene]amino] N-(tert-butyldisulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1239 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13118 187.0
[M+Na]+ 387.11312 188.1
[M-H]- 363.11662 190.8
[M+NH4]+ 382.15772 200.6
[M+K]+ 403.08706 189.3
[M+H-H2O]+ 347.12116 177.9
[M+HCOO]- 409.12210 200.1
[M+CH3COO]- 423.13775 231.5
[M+Na-2H]- 385.09857 184.8
[M]+ 364.12335 195.3
[M]- 364.12445 195.3
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.