CID 86300657

Wc5yf463be

Structural Information

Molecular Formula

C₂₀H₂₀ClN₃O

SMILES

CC[C@@H](C)N([11CH3])C(=O)C1=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1/i3-1

InChIKey

ASFLYNMYGAYKON-XFBLKYPGSA-N

Compound name

N-[(2R)-butan-2-yl]-4-(2-chlorophenyl)-N-(111C)methylquinazoline-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.14093 Da
Monoisotopic Mass: 5.0
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]+	353.148206	183.4
[M+Na]+	375.130148	191.1
[M-H]-	351.133654	189.2
[M+NH4]+	370.174753	195.7
[M+K]+	391.104088	185.5
[M+H-H2O]+	335.138190	173.5
[M+HCOO]-	397.139131	198.0
[M+CH3COO]-	411.154781	220.4
[M+Na-2H]-	373.115596	186.4
[M]+	352.14038142	187.7
[M]-	352.14147858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.