CID 3062731

3-isobutoxy-2-pyrrolidino-n-(2-pyridyl)-n-furfurylpropylamine

Structural Information

Molecular Formula
C21H31N3O2
SMILES
CC(C)COCC(CN(CC1=CC=CO1)C2=CC=CC=N2)N3CCCC3
InChI
InChI=1S/C21H31N3O2/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKey
KBXWEXGFTRDKIR-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.24164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24892 189.4
[M+Na]+ 380.23086 190.2
[M-H]- 356.23436 196.9
[M+NH4]+ 375.27546 200.6
[M+K]+ 396.20480 189.3
[M+H-H2O]+ 340.23890 178.7
[M+HCOO]- 402.23984 207.8
[M+CH3COO]- 416.25549 218.5
[M+Na-2H]- 378.21631 186.8
[M]+ 357.24109 190.7
[M]- 357.24219 190.7
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

patents stripe