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

0
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

literature stripe

Patent stripe

patents stripe