CID 511807

Chembl358351

Structural Information

Molecular Formula
C14H11Cl3N6
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)NCC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23)
InChIKey
YBAHCADCDYNXKD-UHFFFAOYSA-N
Compound name
6-[(3,4,5-trichloroanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.01108 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.01836 180.8
[M+Na]+ 391.00030 192.4
[M-H]- 367.00380 182.2
[M+NH4]+ 386.04490 191.0
[M+K]+ 406.97424 184.1
[M+H-H2O]+ 351.00834 172.5
[M+HCOO]- 413.00928 187.3
[M+CH3COO]- 427.02493 189.6
[M+Na-2H]- 388.98575 184.7
[M]+ 368.01053 182.5
[M]- 368.01163 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.