CID 219563

5335-96-6

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H17N3O3/c26-22-19(13-8-16-7-4-14-23-21(16)22)20(15-5-2-1-3-6-15)24-17-9-11-18(12-10-17)25(27)28/h1-14,20,24,26H
InChIKey
NIPBFFNWSFCRBD-UHFFFAOYSA-N
Compound name
7-[(4-nitroanilino)-phenylmethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

31
Patents

371.12698 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 186.2
[M+Na]+ 394.11620 202.9
[M+NH4]+ 389.16080 194.2
[M+K]+ 410.09014 196.6
[M-H]- 370.11970 194.9
[M+Na-2H]- 392.10165 197.2
[M]+ 371.12643 191.1
[M]- 371.12753 191.1
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