CID 392229

Nsc692361

Structural Information

Molecular Formula
C24H26N4O2
SMILES
CC(=O)NCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCNC(=O)C
InChI
InChI=1S/C24H26N4O2/c1-15(29)25-13-11-19-17-7-3-5-9-21(17)27-23(19)24-20(12-14-26-16(2)30)18-8-4-6-10-22(18)28-24/h3-10,27-28H,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey
AKOQBBHTVMWPFK-UHFFFAOYSA-N
Compound name
N-[2-[2-[3-(2-acetamidoethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 197.3
[M+Na]+ 425.19479 204.3
[M-H]- 401.19829 202.0
[M+NH4]+ 420.23939 209.4
[M+K]+ 441.16873 196.8
[M+H-H2O]+ 385.20283 188.8
[M+HCOO]- 447.20377 217.4
[M+CH3COO]- 461.21942 206.0
[M+Na-2H]- 423.18024 198.2
[M]+ 402.20502 199.7
[M]- 402.20612 199.7
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.