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]+ 292.205976 171.5
[M+Na]+ 314.187918 178.8
[M-H]- 290.191424 177.6
[M+NH4]+ 309.232523 191.7
[M+K]+ 330.161858 173.5
[M+H-H2O]+ 274.195960 163.5
[M+HCOO]- 336.196901 191.7
[M+CH3COO]- 350.212551 213.2
[M+Na-2H]- 312.173366 176.8
[M]+ 291.19815142 172.6
[M]- 291.19924858 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.