CID 3056877

Brn 0316474

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-methylpyridin-2-yl)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]+ 342.16008 181.9
[M+Na]+ 364.14202 188.6
[M-H]- 340.14552 188.3
[M+NH4]+ 359.18662 191.8
[M+K]+ 380.11596 181.2
[M+H-H2O]+ 324.15006 170.6
[M+HCOO]- 386.15100 200.3
[M+CH3COO]- 400.16665 191.0
[M+Na-2H]- 362.12747 188.3
[M]+ 341.15225 180.0
[M]- 341.15335 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