CID 25138203

N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CC1=C(C=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)NS(=O)(=O)C
InChI
InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)
InChIKey
CXQRKICWSCAUGW-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

354.11505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 182.1
[M+Na]+ 377.10427 190.3
[M-H]- 353.10777 189.6
[M+NH4]+ 372.14887 191.9
[M+K]+ 393.07821 183.5
[M+H-H2O]+ 337.11231 171.9
[M+HCOO]- 399.11325 199.9
[M+CH3COO]- 413.12890 215.5
[M+Na-2H]- 375.08972 188.0
[M]+ 354.11450 183.6
[M]- 354.11560 183.6
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