CID 86347

Basazol orange 8512

Structural Information

Molecular Formula
C21H21N3O3
SMILES
CN(C)CCOC(=O)C1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H21N3O3/c1-24(2)13-14-27-21(26)17-9-5-6-10-18(17)22-23-20-16-8-4-3-7-15(16)11-12-19(20)25/h3-12,25H,13-14H2,1-2H3
InChIKey
VLKOXDIJNKZXSH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1583 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 185.8
[M+Na]+ 386.14752 191.3
[M-H]- 362.15102 195.7
[M+NH4]+ 381.19212 199.3
[M+K]+ 402.12146 188.9
[M+H-H2O]+ 346.15556 175.5
[M+HCOO]- 408.15650 212.4
[M+CH3COO]- 422.17215 229.2
[M+Na-2H]- 384.13297 191.1
[M]+ 363.15775 190.1
[M]- 363.15885 190.1
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

No patent data available for this compound.