CID 3063383

4-(n-isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)h-thiopyrano(3,4-d)imidazole

Structural Information

Molecular Formula
C11H16N4OS5
SMILES
CC(C)NC(=S)NCC1(C2=C(C(=C(O1)S)S)N(C=N2)S)S
InChI
InChI=1S/C11H16N4OS5/c1-5(2)14-10(19)12-3-11(20)8-6(15(21)4-13-8)7(17)9(18)16-11/h4-5,17-18,20-21H,3H2,1-2H3,(H2,12,14,19)
InChIKey
LLOSKTXZQWXKHU-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-[[1,4,6,7-tetrakis(sulfanyl)pyrano[3,4-d]imidazol-4-yl]methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.99277 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.00005 175.1
[M+Na]+ 402.98199 182.8
[M-H]- 378.98549 172.7
[M+NH4]+ 398.02659 186.5
[M+K]+ 418.95593 172.7
[M+H-H2O]+ 362.99003 171.1
[M+HCOO]- 424.99097 166.4
[M+CH3COO]- 439.00662 180.8
[M+Na-2H]- 400.96744 178.4
[M]+ 379.99222 172.2
[M]- 379.99332 172.2
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.