CID 25104564

Ldc000067

Structural Information

Molecular Formula
C18H18N4O3S
SMILES
COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N
InChI
InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKey
GGQCIOOSELPMBB-UHFFFAOYSA-N
Compound name
[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

175
Patents

370.10995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11723 184.1
[M+Na]+ 393.09917 197.5
[M+NH4]+ 388.14377 190.1
[M+K]+ 409.07311 189.3
[M-H]- 369.10267 189.3
[M+Na-2H]- 391.08462 194.0
[M]+ 370.10940 187.9
[M]- 370.11050 187.9
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