CID 213217

25789-72-4

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)N(C)C)C)C

InChI

InChI=1S/C14H21NO/c1-8-9(2)11(4)13(12(5)10(8)3)14(16)15(6)7/h1-7H3

InChIKey

LXDSDWQYOIEPGT-UHFFFAOYSA-N

Compound name

N,N,2,3,4,5,6-heptamethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 3.2
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]+	220.16959	152.2
[M+Na]+	242.15153	165.3
[M+NH4]+	237.19613	160.4
[M+K]+	258.12547	159.1
[M-H]-	218.15503	155.4
[M+Na-2H]-	240.13698	157.6
[M]+	219.16176	155.0
[M]-	219.16286	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe