CID 5814149

Nsc636508

Structural Information

Molecular Formula
C24H17ClN2O4
SMILES
CC(=O)OC1=C(NC2=CC(=C(C=C21)/C(=C/C3=CC=CC=C3)/Cl)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C24H17ClN2O4/c1-15(28)31-24-19-13-18(20(25)12-16-8-4-2-5-9-16)22(27(29)30)14-21(19)26-23(24)17-10-6-3-7-11-17/h2-14,26H,1H3/b20-12-
InChIKey
FHXDZLTVLKUBSO-NDENLUEZSA-N
Compound name
[5-[(Z)-1-chloro-2-phenylethenyl]-6-nitro-2-phenyl-1H-indol-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.08768 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09496 203.4
[M+Na]+ 455.07690 209.5
[M-H]- 431.08040 211.5
[M+NH4]+ 450.12150 212.7
[M+K]+ 471.05084 198.1
[M+H-H2O]+ 415.08494 198.4
[M+HCOO]- 477.08588 219.3
[M+CH3COO]- 491.10153 217.6
[M+Na-2H]- 453.06235 205.2
[M]+ 432.08713 205.3
[M]- 432.08823 205.3
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.