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

0
Patents

261.12997 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13725 160.1
[M+Na]+ 284.11919 171.3
[M+NH4]+ 279.16379 169.2
[M+K]+ 300.09313 163.5
[M-H]- 260.12269 165.5
[M+Na-2H]- 282.10464 168.2
[M]+ 261.12942 163.6
[M]- 261.13052 163.6
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.