CID 10273227

Sunitinib n-oxide

Structural Information

Molecular Formula
C22H27FN4O3
SMILES
CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C)[O-]
InChI
InChI=1S/C22H27FN4O3/c1-5-27(30,6-2)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
DNCVCKYIYMUMFC-ATVHPVEESA-N
Compound name
N,N-diethyl-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

414.20673 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21401 200.0
[M+Na]+ 437.19595 205.3
[M-H]- 413.19945 201.7
[M+NH4]+ 432.24055 210.7
[M+K]+ 453.16989 193.6
[M+H-H2O]+ 397.20399 196.5
[M+HCOO]- 459.20493 215.5
[M+CH3COO]- 473.22058 219.2
[M+Na-2H]- 435.18140 200.1
[M]+ 414.20618 196.0
[M]- 414.20728 196.0
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.