CID 44244

Ppr 492

Structural Information

Molecular Formula
C16H27N3O
SMILES
CCCOC1=CC=C(C=C1)C(=NCCN(CC)CC)N
InChI
InChI=1S/C16H27N3O/c1-4-13-20-15-9-7-14(8-10-15)16(17)18-11-12-19(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H2,17,18)
InChIKey
NVSIZUWNEYZNQH-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-4-propoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 170.6
[M+Na]+ 300.20464 179.2
[M+NH4]+ 295.24924 177.5
[M+K]+ 316.17858 172.5
[M-H]- 276.20814 174.1
[M+Na-2H]- 298.19009 175.6
[M]+ 277.21487 172.5
[M]- 277.21597 172.5
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.