CID 9574252

2clphcon2 3,4di

Structural Information

Molecular Formula
C22H23ClN2O
SMILES
CC1=C(C(CC(C1)/C=N/NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C
InChI
InChI=1S/C22H23ClN2O/c1-15-12-17(13-20(16(15)2)18-8-4-3-5-9-18)14-24-25-22(26)19-10-6-7-11-21(19)23/h3-11,14,17,20H,12-13H2,1-2H3,(H,25,26)/b24-14+
InChIKey
ZMRUYRKFAKUYCZ-ZVHZXABRSA-N
Compound name
2-chloro-N-[(E)-(3,4-dimethyl-5-phenylcyclohex-3-en-1-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15718 190.3
[M+Na]+ 389.13912 196.3
[M-H]- 365.14262 200.5
[M+NH4]+ 384.18372 203.5
[M+K]+ 405.11306 189.4
[M+H-H2O]+ 349.14716 181.0
[M+HCOO]- 411.14810 208.9
[M+CH3COO]- 425.16375 223.1
[M+Na-2H]- 387.12457 191.0
[M]+ 366.14935 190.4
[M]- 366.15045 190.4
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.