CID 9589479

1-((2-benzimidazolyl)amidino)-3-cyclohexyl-2-thiourea

Structural Information

Molecular Formula
C15H20N6S
SMILES
C1CCC(CC1)NC(=S)/N=C/NNC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H20N6S/c22-15(18-11-6-2-1-3-7-11)16-10-17-21-14-19-12-8-4-5-9-13(12)20-14/h4-5,8-11H,1-3,6-7H2,(H2,19,20,21)(H2,16,17,18,22)
InChIKey
QIPXIXMIDHDHLF-UHFFFAOYSA-N
Compound name
(1E)-1-[[2-(1H-benzimidazol-2-yl)hydrazinyl]methylidene]-3-cyclohexylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15428 164.7
[M+Na]+ 339.13622 168.9
[M-H]- 315.13972 168.9
[M+NH4]+ 334.18082 178.4
[M+K]+ 355.11016 162.9
[M+H-H2O]+ 299.14426 155.7
[M+HCOO]- 361.14520 182.6
[M+CH3COO]- 375.16085 173.9
[M+Na-2H]- 337.12167 170.0
[M]+ 316.14645 160.2
[M]- 316.14755 160.2
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.