CID 25104564

1073485-20-7

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 185.3
[M+Na]+ 393.09917 193.1
[M-H]- 369.10267 192.3
[M+NH4]+ 388.14377 194.0
[M+K]+ 409.07311 186.7
[M+H-H2O]+ 353.10721 174.9
[M+HCOO]- 415.10815 202.6
[M+CH3COO]- 429.12380 217.2
[M+Na-2H]- 391.08462 190.5
[M]+ 370.10940 187.1
[M]- 370.11050 187.1
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