CID 3056901

73855-93-3

Structural Information

Molecular Formula
C22H21N3
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)C5=NC=CN=C5
InChI
InChI=1S/C22H21N3/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)22(19)25-14-18(15-25)21-13-23-11-12-24-21/h1-8,11-13,18,22H,9-10,14-15H2
InChIKey
MVUHHEZXZXITOQ-UHFFFAOYSA-N
Compound name
2-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.17355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18083 179.7
[M+Na]+ 350.16277 186.3
[M-H]- 326.16627 186.9
[M+NH4]+ 345.20737 184.9
[M+K]+ 366.13671 184.5
[M+H-H2O]+ 310.17081 164.9
[M+HCOO]- 372.17175 193.5
[M+CH3COO]- 386.18740 188.1
[M+Na-2H]- 348.14822 185.0
[M]+ 327.17300 182.4
[M]- 327.17410 182.4
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.