CID 24901723

4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide

Structural Information

Molecular Formula
C18H20N6O2S
SMILES
CC1=NC=C(N1C2CC2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NC
InChI
InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
InChIKey
MZWCVBFANHIPTJ-UHFFFAOYSA-N
Compound name
4-[[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

384.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14412 192.6
[M+Na]+ 407.12606 203.2
[M-H]- 383.12956 201.4
[M+NH4]+ 402.17066 196.3
[M+K]+ 423.10000 194.7
[M+H-H2O]+ 367.13410 183.4
[M+HCOO]- 429.13504 209.7
[M+CH3COO]- 443.15069 201.5
[M+Na-2H]- 405.11151 195.0
[M]+ 384.13629 197.2
[M]- 384.13739 197.2
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