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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.137496	181.6
[M+Na]+	363.119438	188.6
[M-H]-	339.122944	183.8
[M+NH4]+	358.164043	191.9
[M+K]+	379.093378	185.7
[M+H-H2O]+	323.127480	172.1
[M+HCOO]-	385.128421	187.4
[M+CH3COO]-	399.144071	206.9
[M+Na-2H]-	361.104886	182.6
[M]+	340.12967142	182.6
[M]-	340.13076858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.