CID 9865554

Navarixin

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CC[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
InChI
InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
InChIKey
RXIUEIPPLAFSDF-CYBMUJFWSA-N
Compound name
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

859
Patents

397.16376 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 204.7
[M+Na]+ 420.15298 209.8
[M+NH4]+ 415.19758 204.6
[M+K]+ 436.12692 209.4
[M-H]- 396.15648 207.0
[M+Na-2H]- 418.13843 205.6
[M]+ 397.16321 204.5
[M]- 397.16431 204.5
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