CID 201953

Brn 0633381

Structural Information

Molecular Formula
C21H23Cl2N7
SMILES
C1CN(CCN1CCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H23Cl2N7/c22-15-1-5-17(6-2-15)25-21-27-19(26-20(24)28-21)9-10-29-11-13-30(14-12-29)18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28)
InChIKey
AJFCEHDJZMYXOY-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-6-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1392 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14648 204.7
[M+Na]+ 466.12842 211.3
[M-H]- 442.13192 208.2
[M+NH4]+ 461.17302 206.9
[M+K]+ 482.10236 201.3
[M+H-H2O]+ 426.13646 190.1
[M+HCOO]- 488.13740 209.3
[M+CH3COO]- 502.15305 210.0
[M+Na-2H]- 464.11387 206.5
[M]+ 443.13865 202.2
[M]- 443.13975 202.2
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.