CID 3088638

Sr 44347 a

Structural Information

Molecular Formula
C19H29N3S
SMILES
CCN(CC)CCCNC1=NC(=CS1)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C19H29N3S/c1-6-22(7-2)10-8-9-20-19-21-17(13-23-19)18-15(4)11-14(3)12-16(18)5/h11-13H,6-10H2,1-5H3,(H,20,21)
InChIKey
VMLJENVWULBHLF-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20822 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21550 182.0
[M+Na]+ 354.19744 188.9
[M-H]- 330.20094 189.0
[M+NH4]+ 349.24204 197.9
[M+K]+ 370.17138 184.1
[M+H-H2O]+ 314.20548 173.4
[M+HCOO]- 376.20642 201.5
[M+CH3COO]- 390.22207 220.8
[M+Na-2H]- 352.18289 179.6
[M]+ 331.20767 187.9
[M]- 331.20877 187.9
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.