CID 20815

Brn 2813669

Structural Information

Molecular Formula
C22H27N
SMILES
CCN(CC)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C22H27N/c1-3-23(4-2)17-9-14-22-20-12-7-5-10-18(20)15-16-19-11-6-8-13-21(19)22/h5-8,10-14H,3-4,9,15-17H2,1-2H3
InChIKey
ZQRSWEVZDIGGOC-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 174.2
[M+Na]+ 328.20358 178.3
[M-H]- 304.20708 180.9
[M+NH4]+ 323.24818 190.8
[M+K]+ 344.17752 176.9
[M+H-H2O]+ 288.21162 168.3
[M+HCOO]- 350.21256 193.8
[M+CH3COO]- 364.22821 184.3
[M+Na-2H]- 326.18903 178.5
[M]+ 305.21381 172.1
[M]- 305.21491 172.1
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.