CID 216356

Brn 4237273

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C42)CN(C)C
InChI
InChI=1S/C22H22N2O/c1-15-19(14-23(2)3)20-17-11-7-8-12-18(17)22(25)21(20)24(15)13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3
InChIKey
GMSJLIWEQRALHY-UHFFFAOYSA-N
Compound name
3-benzyl-1-[(dimethylamino)methyl]-2-methylindeno[2,1-b]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.5
[M+Na]+ 353.16244 194.8
[M+NH4]+ 348.20704 189.9
[M+K]+ 369.13638 189.5
[M-H]- 329.16594 186.2
[M+Na-2H]- 351.14789 186.9
[M]+ 330.17267 184.3
[M]- 330.17377 184.3
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.