CID 488779

Schembl1181886

Structural Information

Molecular Formula
C21H21N5
SMILES
CC1=CC(=C(C(=C1)C)N(C)C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C21H21N5/c1-14-11-15(2)20(16(3)12-14)26(4)19-9-10-23-21(25-19)24-18-7-5-17(13-22)6-8-18/h5-12H,1-4H3,(H,23,24,25)
InChIKey
ULHSEERDVMXBIL-UHFFFAOYSA-N
Compound name
4-[[4-(N,2,4,6-tetramethylanilino)pyrimidin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

343.1797 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 188.3
[M+Na]+ 366.16892 197.6
[M-H]- 342.17242 194.0
[M+NH4]+ 361.21352 197.2
[M+K]+ 382.14286 190.6
[M+H-H2O]+ 326.17696 170.3
[M+HCOO]- 388.17790 206.7
[M+CH3COO]- 402.19355 196.4
[M+Na-2H]- 364.15437 190.4
[M]+ 343.17915 183.7
[M]- 343.18025 183.7
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.