CID 48145

N-(2-dimethylaminoethyl)-4-isopropoxybenzamidine dihydrochloride

Structural Information

Molecular Formula
C14H23N3O
SMILES
CC(C)OC1=CC=C(C=C1)C(=NCCN(C)C)N
InChI
InChI=1S/C14H23N3O/c1-11(2)18-13-7-5-12(6-8-13)14(15)16-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16)
InChIKey
SZMPGFFZYKHTJN-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.191386 162.5
[M+Na]+ 272.173328 166.5
[M-H]- 248.176834 167.9
[M+NH4]+ 267.217933 179.9
[M+K]+ 288.147268 166.2
[M+H-H2O]+ 232.181370 154.4
[M+HCOO]- 294.182311 188.2
[M+CH3COO]- 308.197961 210.0
[M+Na-2H]- 270.158776 164.2
[M]+ 249.18356142 163.8
[M]- 249.18465858 163.8
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.