CID 64807

Verdantiol

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)C=NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3

InChIKey

RBAUBIIMPLZNGC-UHFFFAOYSA-N

Compound name

methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 431
Patents: 337.2042 Da
Monoisotopic Mass: 5.5
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]+	338.211476	184.4
[M+Na]+	360.193418	189.5
[M-H]-	336.196924	192.0
[M+NH4]+	355.238023	198.5
[M+K]+	376.167358	186.2
[M+H-H2O]+	320.201460	176.0
[M+HCOO]-	382.202401	205.9
[M+CH3COO]-	396.218051	218.2
[M+Na-2H]-	358.178866	186.0
[M]+	337.20365142	187.8
[M]-	337.20474858	187.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe