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]+ 306.221636 174.2
[M+Na]+ 328.203578 178.3
[M-H]- 304.207084 180.9
[M+NH4]+ 323.248183 190.8
[M+K]+ 344.177518 176.9
[M+H-H2O]+ 288.211620 168.3
[M+HCOO]- 350.212561 193.8
[M+CH3COO]- 364.228211 184.3
[M+Na-2H]- 326.189026 178.5
[M]+ 305.21381142 172.1
[M]- 305.21490858 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.