CID 25267648

Ec 810-025-6

Structural Information

Molecular Formula
C24H20ClN5O2
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)N
InChI
InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30)
InChIKey
WRGKROVGVSWJMI-UHFFFAOYSA-N
Compound name
6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

445.13055 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13783 210.3
[M+Na]+ 468.11977 220.9
[M-H]- 444.12327 214.6
[M+NH4]+ 463.16437 216.1
[M+K]+ 484.09371 210.7
[M+H-H2O]+ 428.12781 192.4
[M+HCOO]- 490.12875 222.6
[M+CH3COO]- 504.14440 216.4
[M+Na-2H]- 466.10522 212.5
[M]+ 445.13000 208.4
[M]- 445.13110 208.4
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