CID 3055607

72649-57-1

Structural Information

Molecular Formula
C15H23N3O2S
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)NS(=O)(=O)C)C
InChI
InChI=1S/C15H23N3O2S/c1-9-11(3)15(18-21(5,19)20)12(4)10(2)13(9)8-14-16-6-7-17-14/h18H,6-8H2,1-5H3,(H,16,17)
InChIKey
YYQRBNVFZUEKMV-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,5,6-tetramethylphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1511 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15838 173.4
[M+Na]+ 332.14032 182.6
[M-H]- 308.14382 177.2
[M+NH4]+ 327.18492 187.9
[M+K]+ 348.11426 177.1
[M+H-H2O]+ 292.14836 166.5
[M+HCOO]- 354.14930 187.7
[M+CH3COO]- 368.16495 205.7
[M+Na-2H]- 330.12577 172.0
[M]+ 309.15055 175.9
[M]- 309.15165 175.9
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.