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

literature stripe

Patent stripe

patents stripe