CID 75390

2363-97-5

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23)C
InChI
InChI=1S/C21H22N2O/c1-4-23(5-2)16-10-11-19(15(3)14-16)22-20-12-13-21(24)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3
InChIKey
BJKWNGBNEAYVDW-UHFFFAOYSA-N
Compound name
4-[4-(diethylamino)-2-methylphenyl]iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

318.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 176.9
[M+Na]+ 341.162438 183.8
[M-H]- 317.165944 186.9
[M+NH4]+ 336.207043 193.1
[M+K]+ 357.136378 179.5
[M+H-H2O]+ 301.170480 167.4
[M+HCOO]- 363.171421 201.7
[M+CH3COO]- 377.187071 221.1
[M+Na-2H]- 339.147886 180.9
[M]+ 318.17267142 178.7
[M]- 318.17376858 178.7
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