CID 289724

Nsc151930

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CCOCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C16H21N3O3S/c1-2-22-10-9-19-16-8-7-14(11-15(16)18)23(20,21)13-5-3-12(17)4-6-13/h3-8,11,19H,2,9-10,17-18H2,1H3
InChIKey
CGMBBMHMMYSBIB-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)sulfonyl-1-N-(2-ethoxyethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.13037 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 176.0
[M+Na]+ 358.11959 182.2
[M-H]- 334.12309 181.6
[M+NH4]+ 353.16419 188.6
[M+K]+ 374.09353 176.9
[M+H-H2O]+ 318.12763 167.5
[M+HCOO]- 380.12857 195.4
[M+CH3COO]- 394.14422 214.6
[M+Na-2H]- 356.10504 178.7
[M]+ 335.12982 177.1
[M]- 335.13092 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.