CID 505471

Schembl14369726

Structural Information

Molecular Formula
C22H22N6O
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2)C(=O)NC)NC3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C22H22N6O/c1-13-9-14(2)20(15(3)10-13)27-19-11-18(21(29)24-4)26-22(28-19)25-17-7-5-16(12-23)6-8-17/h5-11H,1-4H3,(H,24,29)(H2,25,26,27,28)
InChIKey
ARTCXLZDKUCJTR-UHFFFAOYSA-N
Compound name
2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.18552 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19280 201.0
[M+Na]+ 409.17474 209.4
[M-H]- 385.17824 205.8
[M+NH4]+ 404.21934 207.5
[M+K]+ 425.14868 202.4
[M+H-H2O]+ 369.18278 183.0
[M+HCOO]- 431.18372 218.9
[M+CH3COO]- 445.19937 239.1
[M+Na-2H]- 407.16019 201.9
[M]+ 386.18497 195.4
[M]- 386.18607 195.4
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.