CID 3062730

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

Structural Information

Molecular Formula
C21H31N3OS
SMILES
CC(C)COCC(CN(CC1=CC=CS1)C2=CC=CC=N2)N3CCCC3
InChI
InChI=1S/C21H31N3OS/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
TWPUCFIMMXOAFE-UHFFFAOYSA-N
Compound name
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

373.21878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22606 192.6
[M+Na]+ 396.20800 194.5
[M-H]- 372.21150 200.0
[M+NH4]+ 391.25260 205.7
[M+K]+ 412.18194 191.8
[M+H-H2O]+ 356.21604 182.7
[M+HCOO]- 418.21698 207.1
[M+CH3COO]- 432.23263 219.9
[M+Na-2H]- 394.19345 187.2
[M]+ 373.21823 194.8
[M]- 373.21933 194.8
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