CID 664331

Galk1-in-1

Structural Information

Molecular Formula

C₁₉H₂₀N₄O₂

SMILES

C1CCC2(C1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)

InChIKey

FDNVTCDQGOVLPM-UHFFFAOYSA-N

Compound name

2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 336.15863 Da
Monoisotopic Mass: 2.1
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]+	337.165906	175.6
[M+Na]+	359.147848	183.4
[M-H]-	335.151354	181.8
[M+NH4]+	354.192453	190.4
[M+K]+	375.121788	177.7
[M+H-H2O]+	319.155890	165.8
[M+HCOO]-	381.156831	190.3
[M+CH3COO]-	395.172481	185.2
[M+Na-2H]-	357.133296	178.9
[M]+	336.15808142	171.5
[M]-	336.15917858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.