CID 365631

Nsc633485

Structural Information

Molecular Formula
C25H18N2O
SMILES
C1C(N(C2=CC=CC=C21)C(=O)C#CC3=CC=CC=C3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H18N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-13,17,24,26H,16H2
InChIKey
SUDNTGVJVMSIQD-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1419 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14918 196.8
[M+Na]+ 385.13112 208.2
[M-H]- 361.13462 200.6
[M+NH4]+ 380.17572 208.7
[M+K]+ 401.10506 194.0
[M+H-H2O]+ 345.13916 180.8
[M+HCOO]- 407.14010 208.9
[M+CH3COO]- 421.15575 204.0
[M+Na-2H]- 383.11657 194.7
[M]+ 362.14135 189.5
[M]- 362.14245 189.5
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.