CID 16205926

93982-97-9

Structural Information

Molecular Formula

C₂₄H₂₅NO₃

SMILES

CC1=CC=CC=C1OC(CCN(C)C(=O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO3/c1-19-11-9-10-16-22(19)28-23(20-12-5-3-6-13-20)17-18-25(2)24(26)27-21-14-7-4-8-15-21/h3-16,23H,17-18H2,1-2H3

InChIKey

XQRWVVSMZKGEBO-UHFFFAOYSA-N

Compound name

phenyl N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 375.18344 Da
Monoisotopic Mass: 5.6
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]+	376.190716	193.3
[M+Na]+	398.172658	196.3
[M-H]-	374.176164	203.1
[M+NH4]+	393.217263	204.3
[M+K]+	414.146598	193.3
[M+H-H2O]+	358.180700	182.4
[M+HCOO]-	420.181641	215.7
[M+CH3COO]-	434.197291	222.8
[M+Na-2H]-	396.158106	194.9
[M]+	375.18289142	195.9
[M]-	375.18398858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe