CID 6435398

Enviradene

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
C/C=C(\C1=CC=CC=C1)/C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N
InChI
InChI=1S/C19H21N3O2S/c1-4-16(14-8-6-5-7-9-14)15-10-11-17-18(12-15)22(19(20)21-17)25(23,24)13(2)3/h4-13H,1-3H3,(H2,20,21)/b16-4+
InChIKey
BFPYUXIFGJJYHU-AYSLTRBKSA-N
Compound name
6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1473
Patents

355.13544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 185.4
[M+Na]+ 378.12466 194.8
[M-H]- 354.12816 191.0
[M+NH4]+ 373.16926 198.8
[M+K]+ 394.09860 188.6
[M+H-H2O]+ 338.13270 177.7
[M+HCOO]- 400.13364 200.2
[M+CH3COO]- 414.14929 214.2
[M+Na-2H]- 376.11011 186.0
[M]+ 355.13489 189.2
[M]- 355.13599 189.2
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.