CID 3088644

Sr 44374 a

Structural Information

Molecular Formula
C16H23N3S
SMILES
CCN(CC)CCCNC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3S/c1-3-19(4-2)12-8-11-17-16-18-15(13-20-16)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKey
HMVGDRKLKJRALA-UHFFFAOYSA-N
Compound name
N',N'-diethyl-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

289.16125 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16853 168.9
[M+Na]+ 312.15047 179.6
[M+NH4]+ 307.19507 177.6
[M+K]+ 328.12441 171.4
[M-H]- 288.15397 174.1
[M+Na-2H]- 310.13592 176.5
[M]+ 289.16070 172.3
[M]- 289.16180 172.3
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.