CID 59810444

2241142-06-1

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)C)C
InChI
InChI=1S/C16H17NO/c1-11-7-6-10-15(12(11)2)17-16-9-5-4-8-14(16)13(3)18/h4-10,17H,1-3H3
InChIKey
VBIZUKRIAWKHQE-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dimethylanilino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

239.13101 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 154.7
[M+Na]+ 262.12023 162.4
[M-H]- 238.12373 161.9
[M+NH4]+ 257.16483 172.3
[M+K]+ 278.09417 158.5
[M+H-H2O]+ 222.12827 147.3
[M+HCOO]- 284.12921 178.8
[M+CH3COO]- 298.14486 198.4
[M+Na-2H]- 260.10568 158.7
[M]+ 239.13046 155.1
[M]- 239.13156 155.1
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