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]+ 276.207046 167.4
[M+Na]+ 298.188988 170.5
[M-H]- 274.192494 172.4
[M+NH4]+ 293.233593 183.4
[M+K]+ 314.162928 167.5
[M+H-H2O]+ 258.197030 158.1
[M+HCOO]- 320.197971 190.1
[M+CH3COO]- 334.213621 205.5
[M+Na-2H]- 296.174436 168.3
[M]+ 275.19922142 165.4
[M]- 275.20031858 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.