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	148.8
[M+Na]+	242.15153	158.2
[M-H]-	218.15503	155.0
[M+NH4]+	237.19613	169.2
[M+K]+	258.12547	157.1
[M+H-H2O]+	202.15957	143.2
[M+HCOO]-	264.16051	172.7
[M+CH3COO]-	278.17616	202.1
[M+Na-2H]-	240.13698	149.4
[M]+	219.16176	153.1
[M]-	219.16286	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe