CID 25397

10566-51-5

Structural Information

Molecular Formula
C21H27N
SMILES
CC1(C2=CC=CC=C2C(C3=CC=CC=C31)CCCN(C)C)C
InChI
InChI=1S/C21H27N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3
InChIKey
JDBNCHGZMNQMCU-UHFFFAOYSA-N
Compound name
3-(10,10-dimethyl-9H-anthracen-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 172.9
[M+Na]+ 316.20358 179.9
[M-H]- 292.20708 179.0
[M+NH4]+ 311.24818 193.1
[M+K]+ 332.17752 175.2
[M+H-H2O]+ 276.21162 164.9
[M+HCOO]- 338.21256 192.9
[M+CH3COO]- 352.22821 213.9
[M+Na-2H]- 314.18903 178.2
[M]+ 293.21381 174.7
[M]- 293.21491 174.7
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.