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]+ 390.12958 187.8
[M+Na]+ 412.11152 192.0
[M-H]- 388.11502 195.3
[M+NH4]+ 407.15612 194.7
[M+K]+ 428.08546 191.1
[M+H-H2O]+ 372.11956 177.9
[M+HCOO]- 434.12050 206.7
[M+CH3COO]- 448.13615 224.7
[M+Na-2H]- 410.09697 188.7
[M]+ 389.12175 185.8
[M]- 389.12285 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.