CID 3063386

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

Structural Information

Molecular Formula
C13H22N4OS
SMILES
CCN1C=NC2=C1CCOC2CNC(=S)NC(C)C
InChI
InChI=1S/C13H22N4OS/c1-4-17-8-15-12-10(17)5-6-18-11(12)7-14-13(19)16-9(2)3/h8-9,11H,4-7H2,1-3H3,(H2,14,16,19)
InChIKey
ABEBSRUJUCWWEX-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]-3-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15143 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15871 167.3
[M+Na]+ 305.14065 172.7
[M-H]- 281.14415 169.2
[M+NH4]+ 300.18525 182.3
[M+K]+ 321.11459 170.3
[M+H-H2O]+ 265.14869 159.8
[M+HCOO]- 327.14963 180.1
[M+CH3COO]- 341.16528 204.3
[M+Na-2H]- 303.12610 167.3
[M]+ 282.15088 168.0
[M]- 282.15198 168.0
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.