CID 182513

4-tert-butyl-n-phenylbenzamide

Structural Information

Molecular Formula
C17H19NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19)
InChIKey
FIDXHPNSYJUJBQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

253.14667 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 160.0
[M+Na]+ 276.13589 166.0
[M-H]- 252.13939 166.6
[M+NH4]+ 271.18049 176.7
[M+K]+ 292.10983 162.3
[M+H-H2O]+ 236.14393 152.7
[M+HCOO]- 298.14487 182.3
[M+CH3COO]- 312.16052 198.1
[M+Na-2H]- 274.12134 165.6
[M]+ 253.14612 159.3
[M]- 253.14722 159.3
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