CID 3049540

Sld-201

Structural Information

Molecular Formula

C₁₉H₂₇N₅O₄

SMILES

CCOC(=O)N(C)C1CCCN(C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

InChI

InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-7-6-8-24(11-12)18-21-14-10-16(27-4)15(26-3)9-13(14)17(20)22-18/h9-10,12H,5-8,11H2,1-4H3,(H2,20,21,22)

InChIKey

PICYFEMQYYHEOK-UHFFFAOYSA-N

Compound name

ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 389.2063 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]+	390.213576	194.6
[M+Na]+	412.195518	199.7
[M-H]-	388.199024	198.5
[M+NH4]+	407.240123	202.7
[M+K]+	428.169458	197.6
[M+H-H2O]+	372.203560	183.3
[M+HCOO]-	434.204501	210.4
[M+CH3COO]-	448.220151	230.0
[M+Na-2H]-	410.180966	195.4
[M]+	389.20575142	196.4
[M]-	389.20684858	196.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.