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]+ 276.207046 168.3
[M+Na]+ 298.188988 171.1
[M-H]- 274.192494 173.4
[M+NH4]+ 293.233593 184.2
[M+K]+ 314.162928 168.7
[M+H-H2O]+ 258.197030 159.2
[M+HCOO]- 320.197971 189.9
[M+CH3COO]- 334.213621 206.4
[M+Na-2H]- 296.174436 168.0
[M]+ 275.19922142 165.7
[M]- 275.20031858 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.