CID 5388204

Nsc633484

Structural Information

Molecular Formula
C22H22N2O
SMILES
C/C=C(\C)/C(=O)N1C(CC2=CC=CC=C21)C3=C(NC4=CC=CC=C43)C
InChI
InChI=1S/C22H22N2O/c1-4-14(2)22(25)24-19-12-8-5-9-16(19)13-20(24)21-15(3)23-18-11-7-6-10-17(18)21/h4-12,20,23H,13H2,1-3H3/b14-4+
InChIKey
ADJKOMYUQDNKDG-LNKIKWGQSA-N
Compound name
(E)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 183.1
[M+Na]+ 353.16244 191.8
[M-H]- 329.16594 188.5
[M+NH4]+ 348.20704 199.5
[M+K]+ 369.13638 184.5
[M+H-H2O]+ 313.17048 175.2
[M+HCOO]- 375.17142 200.2
[M+CH3COO]- 389.18707 193.4
[M+Na-2H]- 351.14789 181.1
[M]+ 330.17267 183.5
[M]- 330.17377 183.5
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

No patent data available for this compound.