CID 504060

Aniline, n-allyl-4,4'-sulfonyldi-

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
C=CCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O2S/c1-2-11-17-13-5-9-15(10-6-13)20(18,19)14-7-3-12(16)4-8-14/h2-10,17H,1,11,16H2
InChIKey
NOAMUOWEAUWGGQ-UHFFFAOYSA-N
Compound name
4-[4-(prop-2-enylamino)phenyl]sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09326 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 164.6
[M+Na]+ 311.08248 172.0
[M-H]- 287.08598 170.9
[M+NH4]+ 306.12708 179.7
[M+K]+ 327.05642 166.0
[M+H-H2O]+ 271.09052 156.9
[M+HCOO]- 333.09146 184.1
[M+CH3COO]- 347.10711 202.5
[M+Na-2H]- 309.06793 168.5
[M]+ 288.09271 164.7
[M]- 288.09381 164.7
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.