CID 474488

4-tert-butyl-n,3-bis(4-isopentyloxyphenyl)thiazol-2-imine

Structural Information

Molecular Formula
C29H40N2O2S
SMILES
CC(C)CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C(C)(C)C)C3=CC=C(C=C3)OCCC(C)C
InChI
InChI=1S/C29H40N2O2S/c1-21(2)16-18-32-25-12-8-23(9-13-25)30-28-31(27(20-34-28)29(5,6)7)24-10-14-26(15-11-24)33-19-17-22(3)4/h8-15,20-22H,16-19H2,1-7H3
InChIKey
QYHAONNGYFCHHB-UHFFFAOYSA-N
Compound name
4-tert-butyl-N,3-bis[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.28104 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.28832 224.1
[M+Na]+ 503.27026 228.6
[M-H]- 479.27376 233.4
[M+NH4]+ 498.31486 233.5
[M+K]+ 519.24420 223.3
[M+H-H2O]+ 463.27830 214.1
[M+HCOO]- 525.27924 238.7
[M+CH3COO]- 539.29489 244.0
[M+Na-2H]- 501.25571 218.9
[M]+ 480.28049 232.3
[M]- 480.28159 232.3
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.