CID 485537

5h-indeno[1,2-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H10N4
SMILES
C1C2=CC=CC=C2C3=C1C(=NC(=N3)N)N
InChI
InChI=1S/C11H10N4/c12-10-8-5-6-3-1-2-4-7(6)9(8)14-11(13)15-10/h1-4H,5H2,(H4,12,13,14,15)
InChIKey
JEAWECDUKGTHAX-UHFFFAOYSA-N
Compound name
5H-indeno[1,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.09055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 139.9
[M+Na]+ 221.079768 150.5
[M-H]- 197.083274 142.8
[M+NH4]+ 216.124373 159.9
[M+K]+ 237.053708 145.6
[M+H-H2O]+ 181.087810 132.6
[M+HCOO]- 243.088751 162.6
[M+CH3COO]- 257.104401 153.1
[M+Na-2H]- 219.065216 147.6
[M]+ 198.09000142 138.0
[M]- 198.09109858 138.0
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