CID 474524

N,3-bis(4-butylphenyl)-4-methyl-thiazol-2-imine

Structural Information

Molecular Formula
C24H30N2S
SMILES
CCCCC1=CC=C(C=C1)N=C2N(C(=CS2)C)C3=CC=C(C=C3)CCCC
InChI
InChI=1S/C24H30N2S/c1-4-6-8-20-10-14-22(15-11-20)25-24-26(19(3)18-27-24)23-16-12-21(13-17-23)9-7-5-2/h10-18H,4-9H2,1-3H3
InChIKey
NAIFCBAMBOWGBW-UHFFFAOYSA-N
Compound name
N,3-bis(4-butylphenyl)-4-methyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.21298 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22026 194.6
[M+Na]+ 401.20220 202.5
[M-H]- 377.20570 204.4
[M+NH4]+ 396.24680 208.6
[M+K]+ 417.17614 194.9
[M+H-H2O]+ 361.21024 184.9
[M+HCOO]- 423.21118 214.3
[M+CH3COO]- 437.22683 224.2
[M+Na-2H]- 399.18765 192.3
[M]+ 378.21243 200.1
[M]- 378.21353 200.1
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.