CID 1714988

305866-70-0

Structural Information

Molecular Formula
C27H21ClN2O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC(=C(C=C3)OC4=CC5=CC=CC=C5C=C4)Cl
InChI
InChI=1S/C27H21ClN2O2/c1-17-13-26(23-16-21(31-2)10-11-25(23)29-17)30-20-8-12-27(24(28)15-20)32-22-9-7-18-5-3-4-6-19(18)14-22/h3-16H,1-2H3,(H,29,30)
InChIKey
XMCGZKAHUKOWQN-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-naphthalen-2-yloxyphenyl)-6-methoxy-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

440.12915 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13643 208.1
[M+Na]+ 463.11837 218.5
[M-H]- 439.12187 218.1
[M+NH4]+ 458.16297 218.2
[M+K]+ 479.09231 210.0
[M+H-H2O]+ 423.12641 195.9
[M+HCOO]- 485.12735 224.6
[M+CH3COO]- 499.14300 217.5
[M+Na-2H]- 461.10382 213.8
[M]+ 440.12860 214.5
[M]- 440.12970 214.5
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