CID 474483

4-methyl-n,3-bis(4-pentoxyphenyl)thiazol-2-imine

Structural Information

Molecular Formula
C26H34N2O2S
SMILES
CCCCCOC1=CC=C(C=C1)N=C2N(C(=CS2)C)C3=CC=C(C=C3)OCCCCC
InChI
InChI=1S/C26H34N2O2S/c1-4-6-8-18-29-24-14-10-22(11-15-24)27-26-28(21(3)20-31-26)23-12-16-25(17-13-23)30-19-9-7-5-2/h10-17,20H,4-9,18-19H2,1-3H3
InChIKey
DCZYAIIDTRENPU-UHFFFAOYSA-N
Compound name
4-methyl-N,3-bis(4-pentoxyphenyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.2341 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.24138 210.3
[M+Na]+ 461.22332 216.6
[M-H]- 437.22682 219.6
[M+NH4]+ 456.26792 221.5
[M+K]+ 477.19726 209.9
[M+H-H2O]+ 421.23136 199.7
[M+HCOO]- 483.23230 229.6
[M+CH3COO]- 497.24795 233.9
[M+Na-2H]- 459.20877 207.3
[M]+ 438.23355 219.1
[M]- 438.23465 219.1
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.