CID 485068

6,7-dimethoxy-9h-indeno[2,1-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C13H14N4O2
SMILES
COC1=C(C=C2C(=C1)CC3=C2C(=NC(=N3)N)N)OC
InChI
InChI=1S/C13H14N4O2/c1-18-9-4-6-3-8-11(7(6)5-10(9)19-2)12(14)17-13(15)16-8/h4-5H,3H2,1-2H3,(H4,14,15,16,17)
InChIKey
XPZMYIVGKLZOAP-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-9H-indeno[2,1-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.11166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 156.7
[M+Na]+ 281.10088 167.8
[M-H]- 257.10438 160.0
[M+NH4]+ 276.14548 174.7
[M+K]+ 297.07482 163.8
[M+H-H2O]+ 241.10892 149.2
[M+HCOO]- 303.10986 179.0
[M+CH3COO]- 317.12551 169.3
[M+Na-2H]- 279.08633 162.0
[M]+ 258.11111 159.1
[M]- 258.11221 159.1
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.