CID 109675

2,5-cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C(=C2)Cl)C
InChI
InChI=1S/C17H19ClN2O/c1-4-20(5-2)14-7-8-16(12(3)10-14)19-13-6-9-17(21)15(18)11-13/h6-11H,4-5H2,1-3H3
InChIKey
NYHORWIVCVFYFV-UHFFFAOYSA-N
Compound name
2-chloro-4-[4-(diethylamino)-2-methylphenyl]iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

302.1186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 171.4
[M+Na]+ 325.10782 179.7
[M-H]- 301.11132 180.8
[M+NH4]+ 320.15242 188.5
[M+K]+ 341.08176 175.0
[M+H-H2O]+ 285.11586 163.7
[M+HCOO]- 347.11680 193.3
[M+CH3COO]- 361.13245 215.2
[M+Na-2H]- 323.09327 173.7
[M]+ 302.11805 175.5
[M]- 302.11915 175.5
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