CID 616267

60547-97-9

Structural Information

Molecular Formula

C₁₄H₁₉N₅O₂

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)N)OC

InChI

InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)

InChIKey

APKHJGDGWQDBGM-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 234
Patents: 289.15387 Da
Monoisotopic Mass: 1.0
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]+	290.16115	168.8
[M+Na]+	312.14309	181.4
[M+NH4]+	307.18769	175.0
[M+K]+	328.11703	175.6
[M-H]-	288.14659	170.9
[M+Na-2H]-	310.12854	174.0
[M]+	289.15332	171.0
[M]-	289.15442	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe