CID 12197551

Ethyl 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxylate

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCOC(=O)C1=C2N=C(C=C(N2C=N1)C)C
InChI
InChI=1S/C11H13N3O2/c1-4-16-11(15)9-10-13-7(2)5-8(3)14(10)6-12-9/h5-6H,4H2,1-3H3
InChIKey
GNBCQZPQUQPWDG-UHFFFAOYSA-N
Compound name
ethyl 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 147.4
[M+Na]+ 242.089988 159.1
[M-H]- 218.093494 149.1
[M+NH4]+ 237.134593 165.4
[M+K]+ 258.063928 156.4
[M+H-H2O]+ 202.098030 139.7
[M+HCOO]- 264.098971 169.0
[M+CH3COO]- 278.114621 189.5
[M+Na-2H]- 240.075436 152.6
[M]+ 219.10022142 153.2
[M]- 219.10131858 153.2
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