CID 5328120

6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

Structural Information

Molecular Formula
C13H9Br2N5
SMILES
C1=CC(=C(C(=C1)Br)C2=C(N=C3C(=C2)C=NC(=N3)N)N)Br
InChI
InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
InChIKey
HGIPWJYTPOHUGK-UHFFFAOYSA-N
Compound name
6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

392.92245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.92973 158.4
[M+Na]+ 415.91167 169.4
[M-H]- 391.91517 164.7
[M+NH4]+ 410.95627 171.4
[M+K]+ 431.88561 152.4
[M+H-H2O]+ 375.91971 163.8
[M+HCOO]- 437.92065 172.2
[M+CH3COO]- 451.93630 170.3
[M+Na-2H]- 413.89712 165.9
[M]+ 392.92190 190.4
[M]- 392.92300 190.4
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

patents stripe