CID 198426

62295-52-7

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CCN4CCCCC4
InChI
InChI=1S/C22H24N2O2/c1-16-15-17(9-12-24(16)14-13-23-10-5-2-6-11-23)20-21(25)18-7-3-4-8-19(18)22(20)26/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3
InChIKey
XSIKFXCUMRSDMZ-UHFFFAOYSA-N
Compound name
2-[2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 187.0
[M+Na]+ 371.17300 192.7
[M-H]- 347.17650 193.8
[M+NH4]+ 366.21760 199.7
[M+K]+ 387.14694 185.7
[M+H-H2O]+ 331.18104 176.5
[M+HCOO]- 393.18198 201.4
[M+CH3COO]- 407.19763 195.7
[M+Na-2H]- 369.15845 184.3
[M]+ 348.18323 181.9
[M]- 348.18433 181.9
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.