CID 24963033

N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide

Structural Information

Molecular Formula
C20H26N6O3S
SMILES
CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)NCCOC
InChI
InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
InChIKey
LDXLQEXLXZCYSR-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

430.1787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.18598 202.3
[M+Na]+ 453.16792 209.6
[M-H]- 429.17142 207.9
[M+NH4]+ 448.21252 208.4
[M+K]+ 469.14186 203.8
[M+H-H2O]+ 413.17596 191.8
[M+HCOO]- 475.17690 216.9
[M+CH3COO]- 489.19255 230.8
[M+Na-2H]- 451.15337 203.5
[M]+ 430.17815 207.6
[M]- 430.17925 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe