CID 114030

Win 2875, hydrochloride salt

Structural Information

Molecular Formula
C14H18ClN3S
SMILES
CN(C)CCN(CC1=C(SC=C1)Cl)C2=CC=CC=N2
InChI
InChI=1S/C14H18ClN3S/c1-17(2)8-9-18(13-5-3-4-7-16-13)11-12-6-10-19-14(12)15/h3-7,10H,8-9,11H2,1-2H3
InChIKey
IHVMSAIMLZQLSB-UHFFFAOYSA-N
Compound name
N'-[(2-chlorothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.091 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.098276 168.1
[M+Na]+ 318.080218 175.3
[M-H]- 294.083724 176.3
[M+NH4]+ 313.124823 186.1
[M+K]+ 334.054158 171.5
[M+H-H2O]+ 278.088260 160.0
[M+HCOO]- 340.089201 185.1
[M+CH3COO]- 354.104851 209.6
[M+Na-2H]- 316.065666 168.9
[M]+ 295.09045142 174.4
[M]- 295.09154858 174.4
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.