CID 2738485

Maybridge2_000568

Structural Information

Molecular Formula
C22H18N4OS
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C(=O)N(CC3=CC=CC=N3)CC4=CC=CC=N4
InChI
InChI=1S/C22H18N4OS/c27-22(20-16-28-21(25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2
InChIKey
SBCMIYBIOAPBLD-UHFFFAOYSA-N
Compound name
2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

386.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.127396 190.0
[M+Na]+ 409.109338 196.6
[M-H]- 385.112844 200.1
[M+NH4]+ 404.153943 199.0
[M+K]+ 425.083278 190.1
[M+H-H2O]+ 369.117380 178.4
[M+HCOO]- 431.118321 207.2
[M+CH3COO]- 445.133971 199.3
[M+Na-2H]- 407.094786 191.7
[M]+ 386.11957142 192.0
[M]- 386.12066858 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.