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

459
Patents

329.13754 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.144816 174.9
[M+Na]+ 352.126758 178.8
[M-H]- 328.130264 181.3
[M+NH4]+ 347.171363 187.2
[M+K]+ 368.100698 176.8
[M+H-H2O]+ 312.134800 165.4
[M+HCOO]- 374.135741 200.4
[M+CH3COO]- 388.151391 216.6
[M+Na-2H]- 350.112206 178.9
[M]+ 329.13699142 176.5
[M]- 329.13808858 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