CID 73977832

1400764-29-5

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CCOC(=O)C1=NC2=C(C(=N1)Cl)N(C=C2)C
InChI
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)9-12-6-4-5-14(2)7(6)8(11)13-9/h4-5H,3H2,1-2H3
InChIKey
JMENTCJVROGGOB-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-5-methylpyrrolo[3,2-d]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05344 148.4
[M+Na]+ 262.03538 161.2
[M-H]- 238.03888 150.0
[M+NH4]+ 257.07998 166.4
[M+K]+ 278.00932 157.0
[M+H-H2O]+ 222.04342 141.1
[M+HCOO]- 284.04436 165.6
[M+CH3COO]- 298.06001 190.3
[M+Na-2H]- 260.02083 153.7
[M]+ 239.04561 155.6
[M]- 239.04671 155.6
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

No patent data available for this compound.