CID 75464883

1439823-58-1

Structural Information

Molecular Formula
C15H21ClN4O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C1N=C(N=C2Cl)N3CCOCC3
InChI
InChI=1S/C15H21ClN4O3/c1-15(2,3)23-14(21)20-5-4-10-11(16)17-13(18-12(10)20)19-6-8-22-9-7-19/h4-9H2,1-3H3
InChIKey
KIRKODQVRWDSEC-UHFFFAOYSA-N
Compound name
tert-butyl 4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13750 181.6
[M+Na]+ 363.11944 188.6
[M-H]- 339.12294 183.8
[M+NH4]+ 358.16404 191.9
[M+K]+ 379.09338 185.7
[M+H-H2O]+ 323.12748 172.1
[M+HCOO]- 385.12842 187.4
[M+CH3COO]- 399.14407 206.9
[M+Na-2H]- 361.10489 182.6
[M]+ 340.12967 182.6
[M]- 340.13077 182.6
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.