CID 23644582

4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
CC1=C(C=C(C=C1)O)NC2=C3C=CC(=CC3=NC=C2)C4=CSC(=N4)C=O
InChI
InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
InChIKey
VKQPTVJDZIILPG-UHFFFAOYSA-N
Compound name
4-[4-(5-hydroxy-2-methylanilino)quinolin-7-yl]-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

361.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.095776 183.2
[M+Na]+ 384.077718 194.7
[M-H]- 360.081224 191.7
[M+NH4]+ 379.122323 196.0
[M+K]+ 400.051658 186.8
[M+H-H2O]+ 344.085760 174.5
[M+HCOO]- 406.086701 201.5
[M+CH3COO]- 420.102351 194.4
[M+Na-2H]- 382.063166 186.1
[M]+ 361.08795142 187.9
[M]- 361.08904858 187.9
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

patents stripe