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]+ 296.09828 168.1
[M+Na]+ 318.08022 175.3
[M-H]- 294.08372 176.3
[M+NH4]+ 313.12482 186.1
[M+K]+ 334.05416 171.5
[M+H-H2O]+ 278.08826 160.0
[M+HCOO]- 340.08920 185.1
[M+CH3COO]- 354.10485 209.6
[M+Na-2H]- 316.06567 168.9
[M]+ 295.09045 174.4
[M]- 295.09155 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.