CID 3063048

1-((1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl)-3-isopropyl-2-thiourea

Structural Information

Molecular Formula
C14H24N4S
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=S)NC(C)C
InChI
InChI=1S/C14H24N4S/c1-4-18-9-16-12-7-11(5-6-13(12)18)8-15-14(19)17-10(2)3/h9-11H,4-8H2,1-3H3,(H2,15,17,19)
InChIKey
XCKUDIXCUJBFMK-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-3-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17218 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17946 167.1
[M+Na]+ 303.16140 172.1
[M-H]- 279.16490 168.2
[M+NH4]+ 298.20600 183.6
[M+K]+ 319.13534 168.2
[M+H-H2O]+ 263.16944 159.6
[M+HCOO]- 325.17038 180.2
[M+CH3COO]- 339.18603 205.1
[M+Na-2H]- 301.14685 166.1
[M]+ 280.17163 166.3
[M]- 280.17273 166.3
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.