CID 80750

6371-55-7

Structural Information

Molecular Formula
C17H19N3O4
SMILES
C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)N(CCO)CCO
InChI
InChI=1S/C17H19N3O4/c21-11-9-20(10-12-22)14-7-5-13(6-8-14)18-19-16-4-2-1-3-15(16)17(23)24/h1-8,21-22H,9-12H2,(H,23,24)
InChIKey
KAOXHXDKFGCWPK-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

611
Patents

329.13754 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 174.9
[M+Na]+ 352.12676 178.8
[M-H]- 328.13026 181.3
[M+NH4]+ 347.17136 187.2
[M+K]+ 368.10070 176.8
[M+H-H2O]+ 312.13480 165.4
[M+HCOO]- 374.13574 200.4
[M+CH3COO]- 388.15139 216.6
[M+Na-2H]- 350.11221 178.9
[M]+ 329.13699 176.5
[M]- 329.13809 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe