CID 17511

Brn 2153820

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(CC1(C2=CC=CC=C2CCC3=CC=CC=C31)O)CN(C)C
InChI
InChI=1S/C21H27NO/c1-16(15-22(2)3)14-21(23)19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,23H,12-15H2,1-3H3
InChIKey
GFTHYQRJEOORHK-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)-2-methylpropyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 174.6
[M+Na]+ 332.19848 179.1
[M-H]- 308.20198 180.6
[M+NH4]+ 327.24308 192.2
[M+K]+ 348.17242 178.8
[M+H-H2O]+ 292.20652 169.0
[M+HCOO]- 354.20746 192.2
[M+CH3COO]- 368.22311 184.6
[M+Na-2H]- 330.18393 178.9
[M]+ 309.20871 172.3
[M]- 309.20981 172.3
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.