CID 225327

Nsc14547

Structural Information

Molecular Formula
C6H10N4O4S5
SMILES
C(NC(=O)N)OC(=S)SSSC(=S)OCNC(=O)N
InChI
InChI=1S/C6H10N4O4S5/c7-3(11)9-1-13-5(15)17-19-18-6(16)14-2-10-4(8)12/h1-2H2,(H3,7,9,11)(H3,8,10,12)
InChIKey
GBTBFPPXQSCWIP-UHFFFAOYSA-N
Compound name
O-[(carbamoylamino)methyl] [(carbamoylamino)methoxycarbothioyltrisulfanyl]methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.93057 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.93785 176.4
[M+Na]+ 384.91979 175.6
[M-H]- 360.92329 168.4
[M+NH4]+ 379.96439 183.1
[M+K]+ 400.89373 162.8
[M+H-H2O]+ 344.92783 166.5
[M+HCOO]- 406.92877 167.3
[M+CH3COO]- 420.94442 215.3
[M+Na-2H]- 382.90524 176.8
[M]+ 361.93002 167.0
[M]- 361.93112 167.0
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.