CID 208703

Brn 2825969

Structural Information

Molecular Formula
C41H30N2
SMILES
C1=CC=C(C=C1)C(=C=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C41H30N2/c1-5-13-34(14-6-1)40(35-15-7-2-8-16-35)30-42-38-25-21-32(22-26-38)29-33-23-27-39(28-24-33)43-31-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28H,29H2
InChIKey
XPNGPCRFZKPRTO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

550.2409 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.24818 246.0
[M+Na]+ 573.23012 265.9
[M+NH4]+ 568.27472 254.4
[M+K]+ 589.20406 249.9
[M-H]- 549.23362 261.6
[M+Na-2H]- 571.21557 263.9
[M]+ 550.24035 253.8
[M]- 550.24145 253.8
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

patents stripe