CID 5388493

Nsc636506

Structural Information

Molecular Formula
C26H21ClN2O
SMILES
CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)/C(=C/C5=CC=CC=C5)/Cl
InChI
InChI=1S/C26H21ClN2O/c1-17-25(20-12-6-7-13-22(20)28-17)24-16-19-11-5-8-14-23(19)29(24)26(30)21(27)15-18-9-3-2-4-10-18/h2-15,24,28H,16H2,1H3/b21-15-
InChIKey
NFQJXJCBMWOQDW-QNGOZBTKSA-N
Compound name
(Z)-2-chloro-1-[2-(2-methyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13425 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14153 202.8
[M+Na]+ 435.12347 211.6
[M-H]- 411.12697 210.9
[M+NH4]+ 430.16807 215.9
[M+K]+ 451.09741 201.7
[M+H-H2O]+ 395.13151 193.4
[M+HCOO]- 457.13245 215.0
[M+CH3COO]- 471.14810 211.7
[M+Na-2H]- 433.10892 200.0
[M]+ 412.13370 204.3
[M]- 412.13480 204.3
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.