CID 505458

Schembl5339502

Structural Information

Molecular Formula
C20H19N7O
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)C(=O)N)C
InChI
InChI=1S/C20H19N7O/c1-11-8-12(2)16(13(3)9-11)24-20-26-18(17(22)28)25-19(27-20)23-15-6-4-14(10-21)5-7-15/h4-9H,1-3H3,(H2,22,28)(H2,23,24,25,26,27)
InChIKey
ZBRAQRKOXKJAOV-UHFFFAOYSA-N
Compound name
4-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)-1,3,5-triazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

373.1651 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17238 195.8
[M+Na]+ 396.15432 204.5
[M-H]- 372.15782 199.0
[M+NH4]+ 391.19892 201.1
[M+K]+ 412.12826 197.7
[M+H-H2O]+ 356.16236 177.4
[M+HCOO]- 418.16330 212.4
[M+CH3COO]- 432.17895 236.5
[M+Na-2H]- 394.13977 196.9
[M]+ 373.16455 189.1
[M]- 373.16565 189.1
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