CID 44249

4-isopropoxy-n-(2-(1-pyrrolidinyl)ethyl)benzamidine dihydrochloride

Structural Information

Molecular Formula
C16H25N3O
SMILES
CC(C)OC1=CC=C(C=C1)C(=NCCN2CCCC2)N
InChI
InChI=1S/C16H25N3O/c1-13(2)20-15-7-5-14(6-8-15)16(17)18-9-12-19-10-3-4-11-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,17,18)
InChIKey
LYTNLVYVQOZFOV-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-N'-(2-pyrrolidin-1-ylethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 168.3
[M+Na]+ 298.18899 171.1
[M-H]- 274.19249 173.4
[M+NH4]+ 293.23359 184.2
[M+K]+ 314.16293 168.7
[M+H-H2O]+ 258.19703 159.2
[M+HCOO]- 320.19797 189.9
[M+CH3COO]- 334.21362 206.4
[M+Na-2H]- 296.17444 168.0
[M]+ 275.19922 165.7
[M]- 275.20032 165.7
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.