CID 11572412

889877-77-4

Structural Information

Molecular Formula

C₁₁H₁₅ClN₄O

SMILES

CC[C@@H]1C(=O)NC2=CN=C(N=C2N1C(C)C)Cl

InChI

InChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1

InChIKey

HZKCDOWKVNPXCW-MRVPVSSYSA-N

Compound name

(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 254.09344 Da
Monoisotopic Mass: 2.3
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]+	255.10072	157.4
[M+Na]+	277.08266	171.1
[M+NH4]+	272.12726	164.0
[M+K]+	293.05660	164.8
[M-H]-	253.08616	156.9
[M+Na-2H]-	275.06811	161.0
[M]+	254.09289	159.3
[M]-	254.09399	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe