CID 3088636

Sr 44345 a

Structural Information

Molecular Formula
C14H19N3S
SMILES
CN(C)CCCNC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C14H19N3S/c1-17(2)10-6-9-15-14-16-13(11-18-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKey
TYOXAPRPCFNUFU-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.12997 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.137246 159.5
[M+Na]+ 284.119188 166.0
[M-H]- 260.122694 166.3
[M+NH4]+ 279.163793 177.4
[M+K]+ 300.093128 162.5
[M+H-H2O]+ 244.127230 151.1
[M+HCOO]- 306.128171 180.8
[M+CH3COO]- 320.143821 202.5
[M+Na-2H]- 282.104636 161.7
[M]+ 261.12942142 162.5
[M]- 261.13051858 162.5
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.