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 163.9
[M+Na]+ 298.13485 170.0
[M-H]- 274.13835 170.5
[M+NH4]+ 293.17945 181.2
[M+K]+ 314.10879 166.2
[M+H-H2O]+ 258.14289 155.2
[M+HCOO]- 320.14383 184.8
[M+CH3COO]- 334.15948 205.5
[M+Na-2H]- 296.12030 165.5
[M]+ 275.14508 167.2
[M]- 275.14618 167.2
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.