CID 3063379

N-(1-methylethyl)-n'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thiourea

Structural Information

Molecular Formula
C11H18N4OS
SMILES
CC(C)NC(=S)NCC1C2=C(CCO1)NC=N2
InChI
InChI=1S/C11H18N4OS/c1-7(2)15-11(17)12-5-9-10-8(3-4-16-9)13-6-14-10/h6-7,9H,3-5H2,1-2H3,(H,13,14)(H2,12,15,17)
InChIKey
CMLAIDPHEOSDLV-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12013 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12741 157.7
[M+Na]+ 277.10935 164.8
[M+NH4]+ 272.15395 164.4
[M+K]+ 293.08329 160.6
[M-H]- 253.11285 159.4
[M+Na-2H]- 275.09480 159.0
[M]+ 254.11958 159.1
[M]- 254.12068 159.1
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.