CID 241014

4-tert-butyl-n-isopropylbenzamide

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C14H21NO/c1-10(2)15-13(16)11-6-8-12(9-7-11)14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChIKey
GPHNMBVGSGNQDX-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

219.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.7
[M+Na]+ 242.15153 158.5
[M-H]- 218.15503 156.3
[M+NH4]+ 237.19613 171.3
[M+K]+ 258.12547 156.7
[M+H-H2O]+ 202.15957 147.0
[M+HCOO]- 264.16051 173.6
[M+CH3COO]- 278.17616 194.3
[M+Na-2H]- 240.13698 156.2
[M]+ 219.16176 153.0
[M]- 219.16286 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.