CID 505466

Schembl14369735

Structural Information

Molecular Formula
C20H18N6O3
SMILES
CC1=CC(=CC(=C1OC2=NC(=NC(=C2)C(=O)N)NC3=CN=C(C=C3)OC)C)C#N
InChI
InChI=1S/C20H18N6O3/c1-11-6-13(9-21)7-12(2)18(11)29-17-8-15(19(22)27)25-20(26-17)24-14-4-5-16(28-3)23-10-14/h4-8,10H,1-3H3,(H2,22,27)(H,24,25,26)
InChIKey
GGMGKNNTROSWEM-UHFFFAOYSA-N
Compound name
6-(4-cyano-2,6-dimethylphenoxy)-2-[(6-methoxypyridin-3-yl)amino]pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.14404 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15132 195.4
[M+Na]+ 413.13326 204.4
[M-H]- 389.13676 198.6
[M+NH4]+ 408.17786 200.1
[M+K]+ 429.10720 198.9
[M+H-H2O]+ 373.14130 176.8
[M+HCOO]- 435.14224 211.5
[M+CH3COO]- 449.15789 235.8
[M+Na-2H]- 411.11871 196.3
[M]+ 390.14349 191.7
[M]- 390.14459 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.