CID 101573330

1610471-69-6

Structural Information

Molecular Formula
C40H30N4
SMILES
C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N
InChI
InChI=1S/C40H30N4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-22H,41-44H2
InChIKey
XDTZQQXBFDIDSL-UHFFFAOYSA-N
Compound name
4-[3,6,8-tris(4-aminophenyl)pyren-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

566.2471 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.25438 250.5
[M+Na]+ 589.23632 271.8
[M+NH4]+ 584.28092 260.4
[M+K]+ 605.21026 256.7
[M-H]- 565.23982 266.5
[M+Na-2H]- 587.22177 262.4
[M]+ 566.24655 258.8
[M]- 566.24765 258.8
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