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]+ 261.19615 165.0
[M+Na]+ 283.17809 170.7
[M-H]- 259.18159 167.8
[M+NH4]+ 278.22269 181.5
[M+K]+ 299.15203 166.5
[M+H-H2O]+ 243.18613 157.9
[M+HCOO]- 305.18707 188.1
[M+CH3COO]- 319.20272 206.4
[M+Na-2H]- 281.16354 165.5
[M]+ 260.18832 165.4
[M]- 260.18942 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.