CID 163646

95038-03-2

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CC1=C(C(=CC=C1)C)N(CC2=CN=CC=C2)C(=O)CCl
InChI
InChI=1S/C16H17ClN2O/c1-12-5-3-6-13(2)16(12)19(15(20)9-17)11-14-7-4-8-18-10-14/h3-8,10H,9,11H2,1-2H3
InChIKey
QBRVNFRKMXVPKF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.10294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 166.2
[M+Na]+ 311.09216 181.3
[M+NH4]+ 306.13676 174.7
[M+K]+ 327.06610 172.9
[M-H]- 287.09566 171.1
[M+Na-2H]- 309.07761 175.6
[M]+ 288.10239 170.1
[M]- 288.10349 170.1
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