CID 31964

Brn 2815830

Structural Information

Molecular Formula
C22H29N
SMILES
CCN(CC)CCCC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C22H29N/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/h5-8,10-13,22H,3-4,9,14-17H2,1-2H3
InChIKey
PWDYQIZDFVMABN-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23728 175.0
[M+Na]+ 330.21922 178.8
[M-H]- 306.22272 181.6
[M+NH4]+ 325.26382 191.5
[M+K]+ 346.19316 177.9
[M+H-H2O]+ 290.22726 169.0
[M+HCOO]- 352.22820 194.4
[M+CH3COO]- 366.24385 185.0
[M+Na-2H]- 328.20467 179.3
[M]+ 307.22945 173.7
[M]- 307.23055 173.7
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.