CID 9823820

Lenvatinib

Structural Information

Molecular Formula
C21H19ClN4O4
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl
InChI
InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
InChIKey
WOSKHXYHFSIKNG-UHFFFAOYSA-N
Compound name
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1440
References

18445
Patents

426.1095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11678 192.5
[M+Na]+ 449.09872 200.9
[M-H]- 425.10222 201.6
[M+NH4]+ 444.14332 197.3
[M+K]+ 465.07266 194.6
[M+H-H2O]+ 409.10676 184.2
[M+HCOO]- 471.10770 210.6
[M+CH3COO]- 485.12335 234.8
[M+Na-2H]- 447.08417 195.4
[M]+ 426.10895 198.7
[M]- 426.11005 198.7
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