CID 3088640

Sr 44372a

Structural Information

Molecular Formula
C18H27N3S
SMILES
CCN(CC)CCNC1=NC(=CS1)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H27N3S/c1-6-21(7-2)9-8-19-18-20-16(12-22-18)17-14(4)10-13(3)11-15(17)5/h10-12H,6-9H2,1-5H3,(H,19,20)
InChIKey
UOGWEOYSKFXFQD-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.19257 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19985 177.6
[M+Na]+ 340.18179 185.0
[M-H]- 316.18529 184.8
[M+NH4]+ 335.22639 194.1
[M+K]+ 356.15573 180.5
[M+H-H2O]+ 300.18983 169.2
[M+HCOO]- 362.19077 197.4
[M+CH3COO]- 376.20642 217.9
[M+Na-2H]- 338.16724 175.7
[M]+ 317.19202 183.2
[M]- 317.19312 183.2
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.