CID 216680

37597-90-3

Structural Information

Molecular Formula
C21H25N
SMILES
CC1(C(=C)C2=CC=CC=C2C3=CC=CC=C31)CCCN(C)C
InChI
InChI=1S/C21H25N/c1-16-17-10-5-6-11-18(17)19-12-7-8-13-20(19)21(16,2)14-9-15-22(3)4/h5-8,10-13H,1,9,14-15H2,2-4H3
InChIKey
GGJNXERYVAOBIG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(9-methyl-10-methylidenephenanthren-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 171.5
[M+Na]+ 314.18792 178.8
[M-H]- 290.19142 177.6
[M+NH4]+ 309.23252 191.7
[M+K]+ 330.16186 173.5
[M+H-H2O]+ 274.19596 163.5
[M+HCOO]- 336.19690 191.7
[M+CH3COO]- 350.21255 213.2
[M+Na-2H]- 312.17337 176.8
[M]+ 291.19815 172.6
[M]- 291.19925 172.6
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.