CID 9816767

Dilopetine

Structural Information

Molecular Formula
C13H19N3OS
SMILES
CN1C(=CC=N1)C(C2=CC=CS2)OCCN(C)C
InChI
InChI=1S/C13H19N3OS/c1-15(2)8-9-17-13(12-5-4-10-18-12)11-6-7-14-16(11)3/h4-7,10,13H,8-9H2,1-3H3
InChIKey
CIJATQMMNKXTJJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

94
Patents

265.12488 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.132156 161.3
[M+Na]+ 288.114098 169.8
[M-H]- 264.117604 168.0
[M+NH4]+ 283.158703 180.1
[M+K]+ 304.088038 168.2
[M+H-H2O]+ 248.122140 153.2
[M+HCOO]- 310.123081 182.2
[M+CH3COO]- 324.138731 200.2
[M+Na-2H]- 286.099546 160.5
[M]+ 265.12433142 168.4
[M]- 265.12542858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe