CID 6476056

4-[[4-[(2,6-dichlorophenyl)methyl]-6-[[(e)-prop-1-enyl]amino]-1,3,5-triazin-2-yl]amino]benzonitrile

Structural Information

Molecular Formula
C20H16Cl2N6
SMILES
C/C=C/NC1=NC(=NC(=N1)CC2=C(C=CC=C2Cl)Cl)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C20H16Cl2N6/c1-2-10-24-19-26-18(11-15-16(21)4-3-5-17(15)22)27-20(28-19)25-14-8-6-13(12-23)7-9-14/h2-10H,11H2,1H3,(H2,24,25,26,27,28)/b10-2+
InChIKey
ZDDBPQMMEGUASP-WTDSWWLTSA-N
Compound name
4-[[4-[(2,6-dichlorophenyl)methyl]-6-[[(E)-prop-1-enyl]amino]-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.08136 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08864 198.2
[M+Na]+ 433.07058 208.8
[M-H]- 409.07408 200.2
[M+NH4]+ 428.11518 204.0
[M+K]+ 449.04452 198.3
[M+H-H2O]+ 393.07862 180.4
[M+HCOO]- 455.07956 206.5
[M+CH3COO]- 469.09521 204.4
[M+Na-2H]- 431.05603 200.3
[M]+ 410.08081 195.1
[M]- 410.08191 195.1
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

No patent data available for this compound.