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 166.0
[M+Na]+ 311.09216 173.8
[M-H]- 287.09566 172.6
[M+NH4]+ 306.13676 181.5
[M+K]+ 327.06610 169.1
[M+H-H2O]+ 271.10020 157.8
[M+HCOO]- 333.10114 184.8
[M+CH3COO]- 347.11679 206.2
[M+Na-2H]- 309.07761 169.6
[M]+ 288.10239 169.9
[M]- 288.10349 169.9
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