CID 3047797

N-(ethoxymethyl)-n-methyl-2-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

Structural Information

Molecular Formula
C23H32N4O3S
SMILES
CCOCN(C)S(=O)(=O)C1=C(C=C(C=C1)CN2C(=NC3=C2C=CN=C3)C)CCC(C)C
InChI
InChI=1S/C23H32N4O3S/c1-6-30-16-26(5)31(28,29)23-10-8-19(13-20(23)9-7-17(2)3)15-27-18(4)25-21-14-24-12-11-22(21)27/h8,10-14,17H,6-7,9,15-16H2,1-5H3
InChIKey
QNIIUBCQCSYASU-UHFFFAOYSA-N
Compound name
N-(ethoxymethyl)-N-methyl-2-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2195 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.226776 210.4
[M+Na]+ 467.208718 218.3
[M-H]- 443.212224 215.9
[M+NH4]+ 462.253323 219.6
[M+K]+ 483.182658 213.5
[M+H-H2O]+ 427.216760 200.7
[M+HCOO]- 489.217701 224.4
[M+CH3COO]- 503.233351 236.1
[M+Na-2H]- 465.194166 210.0
[M]+ 444.21895142 221.0
[M]- 444.22004858 221.0
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.