CID 3088634

Sr 44286a

Structural Information

Molecular Formula
C15H21N3S
SMILES
CCN(CC)CCNC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C15H21N3S/c1-3-18(4-2)11-10-16-15-17-14(12-19-15)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,16,17)
InChIKey
LXVIKPXVFXEFLM-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(4-phenyl-1,3-thiazol-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.14563 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 164.5
[M+Na]+ 298.13485 175.4
[M+NH4]+ 293.17945 173.4
[M+K]+ 314.10879 167.5
[M-H]- 274.13835 169.8
[M+Na-2H]- 296.12030 172.3
[M]+ 275.14508 168.0
[M]- 275.14618 168.0
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.