CID 137321865

N-carbamoyl-4-(5-(2-(1-piperidinomethyl)benzimidazolyl)oxy)butyroamidine trihydrochloride

Structural Information

Molecular Formula
C17H24N6O2
SMILES
C1CCN(C1)CC2=NC3=C(N2)C=C(C=C3)OCCCC(=NC(=O)N)N
InChI
InChI=1S/C17H24N6O2/c18-15(22-17(19)24)4-3-9-25-12-5-6-13-14(10-12)21-16(20-13)11-23-7-1-2-8-23/h5-6,10H,1-4,7-9,11H2,(H,20,21)(H4,18,19,22,24)
InChIKey
ZCXKSMRWOMZCHL-UHFFFAOYSA-N
Compound name
[1-amino-4-[[2-(pyrrolidin-1-ylmethyl)-3H-benzimidazol-5-yl]oxy]butylidene]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19608 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20336 177.9
[M+Na]+ 367.18530 182.0
[M-H]- 343.18880 180.9
[M+NH4]+ 362.22990 189.9
[M+K]+ 383.15924 178.0
[M+H-H2O]+ 327.19334 167.9
[M+HCOO]- 389.19428 198.1
[M+CH3COO]- 403.20993 216.6
[M+Na-2H]- 365.17075 178.0
[M]+ 344.19553 175.6
[M]- 344.19663 175.6
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.