CID 3793232

5-amino-4-anilino-2-(diethylamino)benzenesulfonic acid

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC2=CC=CC=C2)N)S(=O)(=O)O
InChI
InChI=1S/C16H21N3O3S/c1-3-19(4-2)15-11-14(18-12-8-6-5-7-9-12)13(17)10-16(15)23(20,21)22/h5-11,18H,3-4,17H2,1-2H3,(H,20,21,22)
InChIKey
UWNNNYZLBVUMGV-UHFFFAOYSA-N
Compound name
5-amino-4-anilino-2-(diethylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13037 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 176.2
[M+Na]+ 358.11959 182.1
[M-H]- 334.12309 182.4
[M+NH4]+ 353.16419 189.0
[M+K]+ 374.09353 177.8
[M+H-H2O]+ 318.12763 167.8
[M+HCOO]- 380.12857 195.1
[M+CH3COO]- 394.14422 216.0
[M+Na-2H]- 356.10504 178.8
[M]+ 335.12982 177.7
[M]- 335.13092 177.7
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.