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

164
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

literature stripe

Patent stripe

patents stripe