CID 505472

Schembl14369728

Structural Information

Molecular Formula
C23H24N6O
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2)C(=O)N(C)C)NC3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C23H24N6O/c1-14-10-15(2)21(16(3)11-14)27-20-12-19(22(30)29(4)5)26-23(28-20)25-18-8-6-17(13-24)7-9-18/h6-12H,1-5H3,(H2,25,26,27,28)
InChIKey
YDETVTAACDUHQW-UHFFFAOYSA-N
Compound name
2-(4-cyanoanilino)-N,N-dimethyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

400.20117 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.208446 204.9
[M+Na]+ 423.190388 212.8
[M-H]- 399.193894 210.6
[M+NH4]+ 418.234993 211.3
[M+K]+ 439.164328 206.9
[M+H-H2O]+ 383.198430 186.5
[M+HCOO]- 445.199371 222.8
[M+CH3COO]- 459.215021 244.5
[M+Na-2H]- 421.175836 204.6
[M]+ 400.20062142 200.5
[M]- 400.20171858 200.5
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

patents stripe