CID 139594723

Dtxsid301027830

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2NC=O
InChI
InChI=1S/C20H23NO3/c1-20(2,3)16-10-8-15(9-11-16)12-13-24-19(23)17-6-4-5-7-18(17)21-14-22/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKey
DIOLSDIWIYNNOJ-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.0
[M+Na]+ 348.15702 184.6
[M-H]- 324.16052 185.4
[M+NH4]+ 343.20162 192.7
[M+K]+ 364.13096 180.9
[M+H-H2O]+ 308.16506 170.8
[M+HCOO]- 370.16600 200.8
[M+CH3COO]- 384.18165 211.6
[M+Na-2H]- 346.14247 182.5
[M]+ 325.16725 181.9
[M]- 325.16835 181.9
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

No patent data available for this compound.