CID 5329102

Sunitinib

Structural Information

Molecular Formula
C22H27FN4O2
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey
WINHZLLDWRZWRT-ATVHPVEESA-N
Compound name
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4655
References

106082
Patents

398.2118 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21908 198.9
[M+Na]+ 421.20102 205.2
[M-H]- 397.20452 202.0
[M+NH4]+ 416.24562 211.3
[M+K]+ 437.17496 198.8
[M+H-H2O]+ 381.20906 190.0
[M+HCOO]- 443.21000 216.3
[M+CH3COO]- 457.22565 228.9
[M+Na-2H]- 419.18647 193.5
[M]+ 398.21125 198.3
[M]- 398.21235 198.3
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

No patent data available for this compound.