CID 9804490

Unii-z3xpw9jwmu

Structural Information

Molecular Formula
C30H28N2O3
SMILES
COC1=CC=CC(=C1[N+](=O)[O-])/C=C/CN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2
InChI
InChI=1S/C30H28N2O3/c1-35-28-14-6-10-25(30(28)32(33)34)11-7-19-31-20-17-24(18-21-31)29-26-12-4-2-8-22(26)15-16-23-9-3-5-13-27(23)29/h2-16H,17-21H2,1H3/b11-7+
InChIKey
HLPYTHVNPSSCNQ-YRNVUSSQSA-N
Compound name
1-[(E)-3-(3-methoxy-2-nitrophenyl)prop-2-enyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

5
Patents

464.21 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21728 222.5
[M+Na]+ 487.19922 236.7
[M+NH4]+ 482.24382 229.5
[M+K]+ 503.17316 228.8
[M-H]- 463.20272 230.3
[M+Na-2H]- 485.18467 229.0
[M]+ 464.20945 226.9
[M]- 464.21055 226.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe