CID 3059828

Brn 4582368

Structural Information

Molecular Formula
C29H29N3
SMILES
C1CN2CC3=C(CC2CN1CC=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6N3
InChI
InChI=1S/C29H29N3/c1-3-9-22(10-4-1)25(23-11-5-2-6-12-23)15-16-31-17-18-32-21-29-27(19-24(32)20-31)26-13-7-8-14-28(26)30-29/h1-15,24,30H,16-21H2
InChIKey
OVEXOZOYXKZFMD-UHFFFAOYSA-N
Compound name
6-(3,3-diphenylprop-2-enyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.23615 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24343 203.3
[M+Na]+ 442.22537 207.2
[M-H]- 418.22887 208.2
[M+NH4]+ 437.26997 211.7
[M+K]+ 458.19931 196.4
[M+H-H2O]+ 402.23341 189.9
[M+HCOO]- 464.23435 212.5
[M+CH3COO]- 478.25000 208.7
[M+Na-2H]- 440.21082 203.9
[M]+ 419.23560 196.2
[M]- 419.23670 196.2
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.