CID 137321863

N-carbamoyl-3-((5-(2-(dimethylamino)methyl)benzimidazolyl)methylthio)propionamidine

Structural Information

Molecular Formula
C15H22N6OS
SMILES
CN(C)CC1=NC2=C(N1)C=C(C=C2)CSCCC(=N)NC(=O)N
InChI
InChI=1S/C15H22N6OS/c1-21(2)8-14-18-11-4-3-10(7-12(11)19-14)9-23-6-5-13(16)20-15(17)22/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)(H4,16,17,20,22)
InChIKey
JGQCUQJNUAMYTI-UHFFFAOYSA-N
Compound name
3-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]methylsulfanyl]propanimidoylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1576 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16488 176.5
[M+Na]+ 357.14682 182.7
[M+NH4]+ 352.19142 181.5
[M+K]+ 373.12076 178.6
[M-H]- 333.15032 177.7
[M+Na-2H]- 355.13227 179.1
[M]+ 334.15705 177.5
[M]- 334.15815 177.5
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.