CID 58315432

2-chloro-7-cyclopentyl-n,n-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Structural Information

Molecular Formula
C14H17ClN4O
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)Cl
InChI
InChI=1S/C14H17ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKey
PMDDQOHZLBZUSO-UHFFFAOYSA-N
Compound name
2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

292.1091 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11638 167.6
[M+Na]+ 315.09832 176.8
[M-H]- 291.10182 173.2
[M+NH4]+ 310.14292 184.9
[M+K]+ 331.07226 172.7
[M+H-H2O]+ 275.10636 158.7
[M+HCOO]- 337.10730 184.1
[M+CH3COO]- 351.12295 179.3
[M+Na-2H]- 313.08377 167.8
[M]+ 292.10855 170.9
[M]- 292.10965 170.9
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

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