CID 374288

Nsc651807

Structural Information

Molecular Formula
C31H27NO5
SMILES
COC1=CC=C(C=C1)C23C4=C(CC2(CC5=C3C=CC(=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-])C=C(C=C4)OC
InChI
InChI=1S/C31H27NO5/c1-35-25-10-6-23(7-11-25)31-28-14-12-26(36-2)16-20(28)18-30(31,22-4-8-24(9-5-22)32(33)34)19-21-17-27(37-3)13-15-29(21)31/h4-17H,18-19H2,1-3H3
InChIKey
RVYBFQCNZYDFKY-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.18893 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.19621 223.3
[M+Na]+ 516.17815 229.6
[M-H]- 492.18165 235.9
[M+NH4]+ 511.22275 238.6
[M+K]+ 532.15209 219.8
[M+H-H2O]+ 476.18619 216.9
[M+HCOO]- 538.18713 242.4
[M+CH3COO]- 552.20278 235.5
[M+Na-2H]- 514.16360 225.9
[M]+ 493.18838 226.8
[M]- 493.18948 226.8
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.