CID 6449512

Dichlorure de n-(diethylamino-2 ethyl)propoxy-4 cinnamamidinium dihydrate [french]

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCCOC1=CC=C(C=C1)/C=C/C(=NCCN(CC)CC)N
InChI
InChI=1S/C18H29N3O/c1-4-15-22-17-10-7-16(8-11-17)9-12-18(19)20-13-14-21(5-2)6-3/h7-12H,4-6,13-15H2,1-3H3,(H2,19,20)/b12-9+
InChIKey
GYWQEJDGGIPKQD-FMIVXFBMSA-N
Compound name
(E)-N'-[2-(diethylamino)ethyl]-3-(4-propoxyphenyl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.23833 178.9
[M+Na]+ 326.22027 181.7
[M-H]- 302.22377 183.4
[M+NH4]+ 321.26487 194.1
[M+K]+ 342.19421 179.4
[M+H-H2O]+ 286.22831 170.0
[M+HCOO]- 348.22925 204.5
[M+CH3COO]- 362.24490 219.7
[M+Na-2H]- 324.20572 179.8
[M]+ 303.23050 181.5
[M]- 303.23160 181.5
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.