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]+ 401.20845 204.9
[M+Na]+ 423.19039 212.8
[M-H]- 399.19389 210.6
[M+NH4]+ 418.23499 211.3
[M+K]+ 439.16433 206.9
[M+H-H2O]+ 383.19843 186.5
[M+HCOO]- 445.19937 222.8
[M+CH3COO]- 459.21502 244.5
[M+Na-2H]- 421.17584 204.6
[M]+ 400.20062 200.5
[M]- 400.20172 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