CID 3056877

73855-36-4

Structural Information

Molecular Formula
C22H19N3O
SMILES
CC1=C(N=CC=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C22H19N3O/c1-15-7-5-14-24-22(15)25-19(16-8-3-2-4-9-16)18-12-11-17-10-6-13-23-20(17)21(18)26/h2-14,19,26H,1H3,(H,24,25)
InChIKey
WKQUEMVLENNTJC-UHFFFAOYSA-N
Compound name
7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.1528 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 181.9
[M+Na]+ 364.142018 188.6
[M-H]- 340.145524 188.3
[M+NH4]+ 359.186623 191.8
[M+K]+ 380.115958 181.2
[M+H-H2O]+ 324.150060 170.6
[M+HCOO]- 386.151001 200.3
[M+CH3COO]- 400.166651 191.0
[M+Na-2H]- 362.127466 188.3
[M]+ 341.15225142 180.0
[M]- 341.15334858 180.0
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

patents stripe