CID 98174

5706-20-7

Structural Information

Molecular Formula
C18H17NO
SMILES
CN(C)C1=CC=C(C=C1)C=C2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17NO/c1-19(2)16-9-7-13(8-10-16)11-15-12-14-5-3-4-6-17(14)18(15)20/h3-11H,12H2,1-2H3
InChIKey
YCKZAOPKIOWTEH-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1979
Patents

263.131 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 161.2
[M+Na]+ 286.12022 169.0
[M-H]- 262.12372 170.4
[M+NH4]+ 281.16482 181.2
[M+K]+ 302.09416 164.5
[M+H-H2O]+ 246.12826 153.9
[M+HCOO]- 308.12920 185.5
[M+CH3COO]- 322.14485 203.3
[M+Na-2H]- 284.10567 164.1
[M]+ 263.13045 161.4
[M]- 263.13155 161.4
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

patents stripe