CID 485064

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

Structural Information

Molecular Formula
C11H10N4
SMILES
C1C2=CC=CC=C2C3=C1N=C(N=C3N)N
InChI
InChI=1S/C11H10N4/c12-10-9-7-4-2-1-3-6(7)5-8(9)14-11(13)15-10/h1-4H,5H2,(H4,12,13,14,15)
InChIKey
OARFKBIOINURFO-UHFFFAOYSA-N
Compound name
9H-indeno[2,1-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe