CID 57954

4-allyloxy-3,5-dipropylbenzamidine hydrochloride

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=N)N
InChI
InChI=1S/C16H24N2O/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H3,17,18)
InChIKey
CAXXHVMGBPTUFH-UHFFFAOYSA-N
Compound name
4-prop-2-enoxy-3,5-dipropylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 165.0
[M+Na]+ 283.178088 170.7
[M-H]- 259.181594 167.8
[M+NH4]+ 278.222693 181.5
[M+K]+ 299.152028 166.5
[M+H-H2O]+ 243.186130 157.9
[M+HCOO]- 305.187071 188.1
[M+CH3COO]- 319.202721 206.4
[M+Na-2H]- 281.163536 165.5
[M]+ 260.18832142 165.4
[M]- 260.18941858 165.4
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.