CID 167530379

Qssierwgujjeor-uhfffaoysa-n

Structural Information

Molecular Formula
C18H19N3O7
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C18H19N3O7/c19-9-1-3-10(4-2-9)20-21-11-5-7-12(8-6-11)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h1-8,13-16,18,22-24H,19H2,(H,25,26)
InChIKey
QSSIERWGUJJEOR-UHFFFAOYSA-N
Compound name
6-[4-[(4-aminophenyl)diazenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1223 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.129576 187.8
[M+Na]+ 412.111518 192.0
[M-H]- 388.115024 195.3
[M+NH4]+ 407.156123 194.7
[M+K]+ 428.085458 191.1
[M+H-H2O]+ 372.119560 177.9
[M+HCOO]- 434.120501 206.7
[M+CH3COO]- 448.136151 224.7
[M+Na-2H]- 410.096966 188.7
[M]+ 389.12175142 185.8
[M]- 389.12284858 185.8
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

No patent data available for this compound.