CID 3055070

Ro 2-1845

Structural Information

Molecular Formula
C17H20N4O5S
SMILES
CN(C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)OC(=O)N(C)C
InChI
InChI=1S/C17H20N4O5S/c1-20(2)13-7-10-15(16(11-13)26-17(22)21(3)4)19-18-12-5-8-14(9-6-12)27(23,24)25/h5-11H,1-4H3,(H,23,24,25)
InChIKey
RQWIIRXCGMFKPV-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)-2-(dimethylcarbamoyloxy)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12273 188.6
[M+Na]+ 415.10467 196.9
[M+NH4]+ 410.14927 193.2
[M+K]+ 431.07861 191.9
[M-H]- 391.10817 192.3
[M+Na-2H]- 413.09012 195.3
[M]+ 392.11490 190.9
[M]- 392.11600 190.9
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.