CID 505424

2-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-butanamide

Structural Information

Molecular Formula
C21H19Cl2N7O2
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=NC(=N2)NC(CCO)C(=O)N)NC3=CC=C(C=C3)C#N)Cl
InChI
InChI=1S/C21H19Cl2N7O2/c22-15-2-1-3-16(23)14(15)10-18-28-20(26-13-6-4-12(11-24)5-7-13)30-21(29-18)27-17(8-9-31)19(25)32/h1-7,17,31H,8-10H2,(H2,25,32)(H2,26,27,28,29,30)
InChIKey
MKMSSYROCORAGI-UHFFFAOYSA-N
Compound name
2-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.09772 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.10500 209.2
[M+Na]+ 494.08694 216.9
[M-H]- 470.09044 210.0
[M+NH4]+ 489.13154 211.4
[M+K]+ 510.06088 208.7
[M+H-H2O]+ 454.09498 192.2
[M+HCOO]- 516.09592 215.3
[M+CH3COO]- 530.11157 244.9
[M+Na-2H]- 492.07239 208.8
[M]+ 471.09717 205.3
[M]- 471.09827 205.3
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.