CID 379934

Nsc665126

Structural Information

Molecular Formula
C27H18N2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C=CC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C27H18N2O2/c30-29(31)23-15-11-19(12-16-23)10-13-22-18-26(21-7-2-1-3-8-21)28-25-17-14-20-6-4-5-9-24(20)27(22)25/h1-18H
InChIKey
TXOPJXIIAAMQKX-UHFFFAOYSA-N
Compound name
1-[2-(4-nitrophenyl)ethenyl]-3-phenylbenzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.13684 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14412 199.4
[M+Na]+ 425.12606 205.8
[M-H]- 401.12956 208.8
[M+NH4]+ 420.17066 208.5
[M+K]+ 441.10000 193.2
[M+H-H2O]+ 385.13410 190.8
[M+HCOO]- 447.13504 219.9
[M+CH3COO]- 461.15069 219.9
[M+Na-2H]- 423.11151 207.4
[M]+ 402.13629 198.0
[M]- 402.13739 198.0
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.