CID 13272105

90293-56-4

Structural Information

Molecular Formula
C18H30N8O8S
SMILES
C/C(=N\OC)/C(=N\OC(=O)N(C)SN(C)C(=O)O/N=C(/C(=N/OC)/C)\C(=O)N(C)C)/C(=O)N(C)C
InChI
InChI=1S/C18H30N8O8S/c1-11(19-31-9)13(15(27)23(3)4)21-33-17(29)25(7)35-26(8)18(30)34-22-14(12(2)20-32-10)16(28)24(5)6/h1-10H3/b19-11+,20-12+,21-13-,22-14+
InChIKey
QQVATBDKGAQJDZ-YCLJZIHQSA-N
Compound name
[(E)-[(3E)-1-(dimethylamino)-3-methoxyimino-1-oxobutan-2-ylidene]amino] N-[[(Z)-[(3E)-1-(dimethylamino)-3-methoxyimino-1-oxobutan-2-ylidene]amino]oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.19073 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.19801 246.8
[M+Na]+ 541.17995 269.9
[M+NH4]+ 536.22455 266.9
[M+K]+ 557.15389 262.5
[M-H]- 517.18345 269.5
[M+Na-2H]- 539.16540 261.4
[M]+ 518.19018 259.1
[M]- 518.19128 259.1
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.