CID 51342188

668276-06-0

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O

SMILES

C1COCCN1C2=NC(=NC3=CC=CC=C32)CCl

InChI

InChI=1S/C13H14ClN3O/c14-9-12-15-11-4-2-1-3-10(11)13(16-12)17-5-7-18-8-6-17/h1-4H,5-9H2

InChIKey

GEXLFHXNNHVNGH-UHFFFAOYSA-N

Compound name

4-[2-(chloromethyl)quinazolin-4-yl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 263.08255 Da
Monoisotopic Mass: 2.0
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]+	264.089826	158.6
[M+Na]+	286.071768	166.6
[M-H]-	262.075274	161.5
[M+NH4]+	281.116373	171.2
[M+K]+	302.045708	162.1
[M+H-H2O]+	246.079810	148.4
[M+HCOO]-	308.080751	169.1
[M+CH3COO]-	322.096401	169.0
[M+Na-2H]-	284.057216	165.5
[M]+	263.08200142	157.8
[M]-	263.08309858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe