CID 6082683

Nsc665127

Structural Information

Molecular Formula
C33H21N3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC(=N3)C4=NC5=CC=CC=C5C=C4)/C=C/C6=NC7=CC=CC=C7C=C6
InChI
InChI=1S/C33H21N3/c1-4-10-27-22(7-1)15-20-31-33(27)25(14-18-26-17-13-23-8-2-5-11-28(23)34-26)21-32(36-31)30-19-16-24-9-3-6-12-29(24)35-30/h1-21H/b18-14+
InChIKey
MAWGSSMWTPIYKZ-NBVRZTHBSA-N
Compound name
3-quinolin-2-yl-1-[(E)-2-quinolin-2-ylethenyl]benzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.17355 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18083 218.8
[M+Na]+ 482.16277 228.7
[M-H]- 458.16627 226.8
[M+NH4]+ 477.20737 225.1
[M+K]+ 498.13671 216.0
[M+H-H2O]+ 442.17081 201.9
[M+HCOO]- 504.17175 233.1
[M+CH3COO]- 518.18740 225.3
[M+Na-2H]- 480.14822 227.3
[M]+ 459.17300 219.1
[M]- 459.17410 219.1
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.