CID 105923

67875-14-3

Structural Information

Molecular Formula
C27H27N5O5S
SMILES
CC1=CC=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)N(CCO)CCO)S(=O)(=O)O
InChI
InChI=1S/C27H27N5O5S/c1-19-4-2-3-5-25(19)29-31-27-13-12-26(23-11-10-22(18-24(23)27)38(35,36)37)30-28-20-6-8-21(9-7-20)32(14-16-33)15-17-34/h2-13,18,33-34H,14-17H2,1H3,(H,35,36,37)
InChIKey
DKKCYNLPQFOYAT-UHFFFAOYSA-N
Compound name
5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-8-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.1733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.18058 222.9
[M+Na]+ 556.16252 226.7
[M-H]- 532.16602 234.8
[M+NH4]+ 551.20712 228.5
[M+K]+ 572.13646 223.1
[M+H-H2O]+ 516.17056 210.6
[M+HCOO]- 578.17150 244.9
[M+CH3COO]- 592.18715 261.9
[M+Na-2H]- 554.14797 229.9
[M]+ 533.17275 229.2
[M]- 533.17385 229.2
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.