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]+ 276.23218 171.7
[M+Na]+ 298.21412 176.0
[M-H]- 274.21762 174.4
[M+NH4]+ 293.25872 188.0
[M+K]+ 314.18806 172.7
[M+H-H2O]+ 258.22216 164.9
[M+HCOO]- 320.22310 192.2
[M+CH3COO]- 334.23875 205.5
[M+Na-2H]- 296.19957 174.1
[M]+ 275.22435 174.0
[M]- 275.22545 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