CID 44246

Ppr 497

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCCOC1=CC=C(C=C1)C(=NCCN2CCCC2)N
InChI
InChI=1S/C16H25N3O/c1-2-13-20-15-7-5-14(6-8-15)16(17)18-9-12-19-10-3-4-11-19/h5-8H,2-4,9-13H2,1H3,(H2,17,18)
InChIKey
FDHLSSGAPATFMR-UHFFFAOYSA-N
Compound name
4-propoxy-N'-(2-pyrrolidin-1-ylethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 167.4
[M+Na]+ 298.18899 170.5
[M-H]- 274.19249 172.4
[M+NH4]+ 293.23359 183.4
[M+K]+ 314.16293 167.5
[M+H-H2O]+ 258.19703 158.1
[M+HCOO]- 320.19797 190.1
[M+CH3COO]- 334.21362 205.5
[M+Na-2H]- 296.17444 168.3
[M]+ 275.19922 165.4
[M]- 275.20032 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.