CID 501396

Bibx-79

Structural Information

Molecular Formula
C23H29ClN2O
SMILES
CN(C)CC1=CC=C(C=C1)C2CCC(CC2)N(C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O/c1-25(2)16-17-4-6-18(7-5-17)19-10-14-22(15-11-19)26(3)23(27)20-8-12-21(24)13-9-20/h4-9,12-13,19,22H,10-11,14-16H2,1-3H3
InChIKey
WBNUHWUTAHSPER-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

384.19684 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20412 195.3
[M+Na]+ 407.18606 208.6
[M+NH4]+ 402.23066 204.2
[M+K]+ 423.16000 199.5
[M-H]- 383.18956 203.7
[M+Na-2H]- 405.17151 204.4
[M]+ 384.19629 199.9
[M]- 384.19739 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe