CID 34371

28939-38-0

Structural Information

Molecular Formula
C17H22ClNO
SMILES
CC1C2CCC(C2)C1CN(C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H22ClNO/c1-11-13-3-4-14(9-13)16(11)10-19(2)17(20)12-5-7-15(18)8-6-12/h5-8,11,13-14,16H,3-4,9-10H2,1-2H3
InChIKey
NKZRCGZWUIDYCM-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13898 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14626 174.0
[M+Na]+ 314.12820 180.6
[M-H]- 290.13170 181.1
[M+NH4]+ 309.17280 196.1
[M+K]+ 330.10214 175.9
[M+H-H2O]+ 274.13624 168.6
[M+HCOO]- 336.13718 190.4
[M+CH3COO]- 350.15283 207.6
[M+Na-2H]- 312.11365 171.9
[M]+ 291.13843 175.9
[M]- 291.13953 175.9
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

No patent data available for this compound.