CID 168344288

84961-67-1

Structural Information

Molecular Formula
C63H52N4
SMILES
CC=C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(CN=C(C3=CC=CC=C3)NC(=NC)C4=CC=CC=C4)N5C6=C(C=C(C=C6)C7=CC=CC=C7)C8=C5C(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C63H52N4/c1-3-58(50-33-19-8-20-34-50)63(44-46-25-11-4-12-26-46,45-65-62(52-37-23-10-24-38-52)66-61(64-2)51-35-21-9-22-36-51)67-59-40-39-53(47-27-13-5-14-28-47)41-56(59)57-43-54(48-29-15-6-16-30-48)42-55(60(57)67)49-31-17-7-18-32-49/h3-43H,44-45H2,1-2H3,(H,64,65,66)
InChIKey
FJRFSKLTWSXANF-UHFFFAOYSA-N
Compound name
N-[N-[2-benzyl-3-phenyl-2-(1,3,6-triphenylcarbazol-9-yl)pent-3-enyl]-C-phenylcarbonimidoyl]-N'-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

864.4192 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.42648 290.5
[M+Na]+ 887.40842 285.9
[M-H]- 863.41192 308.4
[M+NH4]+ 882.45302 280.1
[M+K]+ 903.38236 276.1
[M+H-H2O]+ 847.41646 270.1
[M+HCOO]- 909.41740 301.8
[M+CH3COO]- 923.43305 288.0
[M+Na-2H]- 885.39387 287.9
[M]+ 864.41865 284.4
[M]- 864.41975 284.4
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.