CID 168010184

Terpene resin

Structural Information

Molecular Formula
C69H51N5
SMILES
C=CC=C(C=C)C1NC(=NC(=N1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C(=C5)C6=CCCC=C6)N7C8=CC=CC=C8C9=C7C1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C69H51N5/c1-3-24-46(4-2)67-70-68(53-42-51(47-25-10-5-11-26-47)41-52(43-53)48-27-12-6-13-28-48)72-69(71-67)54-44-59(49-29-14-7-15-30-49)65(60(45-54)50-31-16-8-17-32-50)74-61-37-22-20-35-56(61)57-39-40-63-64(66(57)74)58-36-21-23-38-62(58)73(63)55-33-18-9-19-34-55/h3-7,9-16,18-45,67H,1-2,8,17H2,(H,70,71,72)
InChIKey
UKOBDYOPMISNGI-UHFFFAOYSA-N
Compound name
12-[2-cyclohexa-1,5-dien-1-yl-4-[4-(3,5-diphenylphenyl)-2-hexa-1,3,5-trien-3-yl-1,2-dihydro-1,3,5-triazin-6-yl]-6-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

949.4144 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 950.42168 291.3
[M+Na]+ 972.40362 290.9
[M-H]- 948.40712 306.6
[M+NH4]+ 967.44822 276.4
[M+K]+ 988.37756 277.3
[M+H-H2O]+ 932.41166 268.3
[M+HCOO]- 994.41260 292.0
[M+CH3COO]- 1008.4283 286.8
[M+Na-2H]- 970.38907 280.9
[M]+ 949.41385 283.9
[M]- 949.41495 283.9
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.