CID 4408175

4-tert-butyl-n-heptylbenzamide

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCNC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C18H29NO/c1-5-6-7-8-9-14-19-17(20)15-10-12-16(13-11-15)18(2,3)4/h10-13H,5-9,14H2,1-4H3,(H,19,20)
InChIKey
AVJIMKKDBFLRTH-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-heptylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 171.7
[M+Na]+ 298.214118 176.0
[M-H]- 274.217624 174.4
[M+NH4]+ 293.258723 188.0
[M+K]+ 314.188058 172.7
[M+H-H2O]+ 258.222160 164.9
[M+HCOO]- 320.223101 192.2
[M+CH3COO]- 334.238751 205.5
[M+Na-2H]- 296.199566 174.1
[M]+ 275.22435142 174.0
[M]- 275.22544858 174.0
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

patents stripe