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
2
Annotation Hits

0
References

27
Patents

302.1186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.125876 171.4
[M+Na]+ 325.107818 179.7
[M-H]- 301.111324 180.8
[M+NH4]+ 320.152423 188.5
[M+K]+ 341.081758 175.0
[M+H-H2O]+ 285.115860 163.7
[M+HCOO]- 347.116801 193.3
[M+CH3COO]- 361.132451 215.2
[M+Na-2H]- 323.093266 173.7
[M]+ 302.11805142 175.5
[M]- 302.11914858 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