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]+ 199.09783 139.9
[M+Na]+ 221.07977 150.5
[M-H]- 197.08327 142.8
[M+NH4]+ 216.12437 159.9
[M+K]+ 237.05371 145.6
[M+H-H2O]+ 181.08781 132.6
[M+HCOO]- 243.08875 162.6
[M+CH3COO]- 257.10440 153.1
[M+Na-2H]- 219.06522 147.6
[M]+ 198.09000 138.0
[M]- 198.09110 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