CID 135853588

70833-46-4

Structural Information

Molecular Formula
C42H43N11O9S2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N(CC)CC)O)N)O)O
InChI
InChI=1S/C42H43N11O9S2/c1-5-52(6-2)30-17-19-32(34(54)23-30)48-44-26-9-13-28(14-10-26)46-50-40-36(63(57,58)59)21-25-22-37(64(60,61)62)41(42(56)38(25)39(40)43)51-47-29-15-11-27(12-16-29)45-49-33-20-18-31(24-35(33)55)53(7-3)8-4/h9-24,54-56H,5-8,43H2,1-4H3,(H,57,58,59)(H,60,61,62)
InChIKey
RXZWVPMBCATFAR-UHFFFAOYSA-N
Compound name
4-amino-3,6-bis[[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

909.2687 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 910.27598 287.7
[M+Na]+ 932.25792 294.6
[M+NH4]+ 927.30252 294.0
[M+K]+ 948.23186 288.3
[M-H]- 908.26142 288.8
[M+Na-2H]- 930.24337 313.1
[M]+ 909.26815 292.8
[M]- 909.26925 292.8
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.