CID 85093

Einecs 239-866-1

Structural Information

Molecular Formula
C27H25N5O5
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(CCO)CCO)O)C(=O)O
InChI
InChI=1S/C27H25N5O5/c33-15-13-32(14-16-34)22-11-9-21(10-12-22)29-28-19-5-7-20(8-6-19)30-31-25-23-4-2-1-3-18(23)17-24(26(25)35)27(36)37/h1-12,17,33-35H,13-16H2,(H,36,37)
InChIKey
MGGBSIKFUGTNBB-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.18558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.19286 214.6
[M+Na]+ 522.17480 217.4
[M-H]- 498.17830 225.8
[M+NH4]+ 517.21940 220.3
[M+K]+ 538.14874 215.1
[M+H-H2O]+ 482.18284 201.9
[M+HCOO]- 544.18378 240.7
[M+CH3COO]- 558.19943 257.8
[M+Na-2H]- 520.16025 219.7
[M]+ 499.18503 217.8
[M]- 499.18613 217.8
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.