CID 458552

N-(1-phenylethyl)anthracene-2-carboxamide

Structural Information

Molecular Formula
C23H19NO
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2
InChI
InChI=1S/C23H19NO/c1-16(17-7-3-2-4-8-17)24-23(25)21-12-11-20-13-18-9-5-6-10-19(18)14-22(20)15-21/h2-16H,1H3,(H,24,25)
InChIKey
BJWGKJDEQJQHER-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)anthracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15395 177.0
[M+Na]+ 348.13589 183.8
[M-H]- 324.13939 185.1
[M+NH4]+ 343.18049 192.0
[M+K]+ 364.10983 177.4
[M+H-H2O]+ 308.14393 167.7
[M+HCOO]- 370.14487 198.3
[M+CH3COO]- 384.16052 187.7
[M+Na-2H]- 346.12134 183.9
[M]+ 325.14612 177.2
[M]- 325.14722 177.2
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

No patent data available for this compound.