CID 487092

4-({4-[(2-aminoethyl)amino]phenyl}sulfonyl)phenylamine

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCCN
InChI
InChI=1S/C14H17N3O2S/c15-9-10-17-12-3-7-14(8-4-12)20(18,19)13-5-1-11(16)2-6-13/h1-8,17H,9-10,15-16H2
InChIKey
MDPYJIRMYGKJHU-UHFFFAOYSA-N
Compound name
N'-[4-(4-aminophenyl)sulfonylphenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.10416 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 163.8
[M+Na]+ 314.09338 170.5
[M-H]- 290.09688 169.5
[M+NH4]+ 309.13798 178.2
[M+K]+ 330.06732 164.8
[M+H-H2O]+ 274.10142 155.9
[M+HCOO]- 336.10236 183.8
[M+CH3COO]- 350.11801 205.1
[M+Na-2H]- 312.07883 168.0
[M]+ 291.10361 162.5
[M]- 291.10471 162.5
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.