CID 101563230

Rqf7lkx9n1

Structural Information

Molecular Formula
C23H18N2O5
SMILES
CC1=C(C(=CC=C1)O)C(=O)O[C@H](C)C2=C3C(=CC=C2)N=C4C(=N3)C=CC=C4C(=O)O
InChI
InChI=1S/C23H18N2O5/c1-12-6-3-11-18(26)19(12)23(29)30-13(2)14-7-4-9-16-20(14)24-17-10-5-8-15(22(27)28)21(17)25-16/h3-11,13,26H,1-2H3,(H,27,28)/t13-/m1/s1
InChIKey
AXHGAUSFRHOIGV-CYBMUJFWSA-N
Compound name
6-[(1R)-1-(2-hydroxy-6-methylbenzoyl)oxyethyl]phenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

198
Patents

402.12158 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12886 194.4
[M+Na]+ 425.11080 210.2
[M+NH4]+ 420.15540 199.9
[M+K]+ 441.08474 204.0
[M-H]- 401.11430 197.1
[M+Na-2H]- 423.09625 200.7
[M]+ 402.12103 197.4
[M]- 402.12213 197.4
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