CID 11650711

Bis(5h-dibenzo[a,d]cyclohepten-5-yl)amine

Structural Information

Molecular Formula
C30H23N
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)NC4C5=CC=CC=C5C=CC6=CC=CC=C46
InChI
InChI=1S/C30H23N/c1-5-13-25-21(9-1)17-18-22-10-2-6-14-26(22)29(25)31-30-27-15-7-3-11-23(27)19-20-24-12-4-8-16-28(24)30/h1-20,29-31H
InChIKey
OFFKQRRCBWRRFP-UHFFFAOYSA-N
Compound name
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

397.18304 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19032 205.6
[M+Na]+ 420.17226 217.4
[M+NH4]+ 415.21686 213.4
[M+K]+ 436.14620 208.6
[M-H]- 396.17576 212.2
[M+Na-2H]- 418.15771 212.0
[M]+ 397.18249 209.7
[M]- 397.18359 209.7
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