CID 11084233

5h,6h,7h,8h-pyrido[4,3-d]pyrimidine-2,4-diamine dihydrochloride

Structural Information

Molecular Formula
C7H11N5
SMILES
C1CNCC2=C1N=C(N=C2N)N
InChI
InChI=1S/C7H11N5/c8-6-4-3-10-2-1-5(4)11-7(9)12-6/h10H,1-3H2,(H4,8,9,11,12)
InChIKey
IATHNVFSNNUOPD-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.10144 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.108716 135.0
[M+Na]+ 188.090658 142.8
[M-H]- 164.094164 133.3
[M+NH4]+ 183.135263 151.1
[M+K]+ 204.064598 138.6
[M+H-H2O]+ 148.098700 127.2
[M+HCOO]- 210.099641 152.7
[M+CH3COO]- 224.115291 146.1
[M+Na-2H]- 186.076106 142.6
[M]+ 165.10089142 127.4
[M]- 165.10198858 127.4
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

patents stripe