CID 3023409

94086-83-6

Structural Information

Molecular Formula
C20H20N2O7S
SMILES
COCCOC(=O)NC1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O
InChI
InChI=1S/C20H20N2O7S/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27)
InChIKey
VENWPTHVICQAMM-UHFFFAOYSA-N
Compound name
4-hydroxy-7-[4-(2-methoxyethoxycarbonylamino)anilino]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.09912 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.106396 194.8
[M+Na]+ 455.088338 199.9
[M-H]- 431.091844 199.3
[M+NH4]+ 450.132943 203.3
[M+K]+ 471.062278 196.2
[M+H-H2O]+ 415.096380 186.2
[M+HCOO]- 477.097321 209.7
[M+CH3COO]- 491.112971 225.1
[M+Na-2H]- 453.073786 199.8
[M]+ 432.09857142 199.9
[M]- 432.09966858 199.9
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.