CID 11619093

Supinoxin

Structural Information

Molecular Formula
C22H24FN5O4
SMILES
COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC
InChI
InChI=1S/C22H24FN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)
InChIKey
KAKPGJJRYRYSTP-UHFFFAOYSA-N
Compound name
4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

264
Patents

441.18124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18852 208.2
[M+Na]+ 464.17046 214.6
[M-H]- 440.17396 211.7
[M+NH4]+ 459.21506 212.0
[M+K]+ 480.14440 209.2
[M+H-H2O]+ 424.17850 193.7
[M+HCOO]- 486.17944 220.4
[M+CH3COO]- 500.19509 233.7
[M+Na-2H]- 462.15591 209.3
[M]+ 441.18069 208.3
[M]- 441.18179 208.3
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.