CID 174381

Einecs 283-839-7

Structural Information

Molecular Formula
C22H23N5O3S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C22H23N5O3S/c1-3-27(4-2)21-13-9-19(10-14-21)25-23-17-5-7-18(8-6-17)24-26-20-11-15-22(16-12-20)31(28,29)30/h5-16H,3-4H2,1-2H3,(H,28,29,30)
InChIKey
QHMDMKVAOFSMJA-UHFFFAOYSA-N
Compound name
4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.15216 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15944 203.8
[M+Na]+ 460.14138 208.9
[M-H]- 436.14488 218.1
[M+NH4]+ 455.18598 213.9
[M+K]+ 476.11532 205.6
[M+H-H2O]+ 420.14942 191.5
[M+HCOO]- 482.15036 230.7
[M+CH3COO]- 496.16601 246.8
[M+Na-2H]- 458.12683 210.2
[M]+ 437.15161 209.8
[M]- 437.15271 209.8
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.