CID 37356

Brn 2947806

Structural Information

Molecular Formula
C21H25N
SMILES
CN(C)CCCC1=CC=CC2=C1C(=C)C3=CC=CC=C3CC2
InChI
InChI=1S/C21H25N/c1-16-20-12-5-4-8-17(20)13-14-19-10-6-9-18(21(16)19)11-7-15-22(2)3/h4-6,8-10,12H,1,7,11,13-15H2,2-3H3
InChIKey
CMHZRLXEDQNAJH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 169.3
[M+Na]+ 314.18792 174.7
[M-H]- 290.19142 176.6
[M+NH4]+ 309.23252 186.7
[M+K]+ 330.16186 173.7
[M+H-H2O]+ 274.19596 163.8
[M+HCOO]- 336.19690 189.3
[M+CH3COO]- 350.21255 180.2
[M+Na-2H]- 312.17337 173.6
[M]+ 291.19815 167.4
[M]- 291.19925 167.4
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.