CID 474480

N,3-bis(4-ethylphenyl)-4-[2-(1-piperidyl)ethyl]thiazol-2-imine

Structural Information

Molecular Formula
C26H33N3S
SMILES
CCC1=CC=C(C=C1)N=C2N(C(=CS2)CCN3CCCCC3)C4=CC=C(C=C4)CC
InChI
InChI=1S/C26H33N3S/c1-3-21-8-12-23(13-9-21)27-26-29(24-14-10-22(4-2)11-15-24)25(20-30-26)16-19-28-17-6-5-7-18-28/h8-15,20H,3-7,16-19H2,1-2H3
InChIKey
CESJYQIMAADACE-UHFFFAOYSA-N
Compound name
N,3-bis(4-ethylphenyl)-4-(2-piperidin-1-ylethyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.23953 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24681 204.5
[M+Na]+ 442.22875 209.7
[M-H]- 418.23225 214.8
[M+NH4]+ 437.27335 214.5
[M+K]+ 458.20269 201.6
[M+H-H2O]+ 402.23679 192.9
[M+HCOO]- 464.23773 219.3
[M+CH3COO]- 478.25338 212.6
[M+Na-2H]- 440.21420 200.6
[M]+ 419.23898 204.2
[M]- 419.24008 204.2
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.