CID 68893

Bk 34-530

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3CCC4=C(C3)C=CC(=C4)O
InChI
InChI=1S/C21H26N2O/c1-16-4-2-3-5-21(16)23-12-10-22(11-13-23)19-8-6-18-15-20(24)9-7-17(18)14-19/h2-5,7,9,15,19,24H,6,8,10-14H2,1H3
InChIKey
ZYGBSDBJSDMKLV-UHFFFAOYSA-N
Compound name
6-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

322.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.9
[M+Na]+ 345.19372 185.0
[M-H]- 321.19722 185.8
[M+NH4]+ 340.23832 191.9
[M+K]+ 361.16766 178.3
[M+H-H2O]+ 305.20176 169.6
[M+HCOO]- 367.20270 192.5
[M+CH3COO]- 381.21835 188.7
[M+Na-2H]- 343.17917 182.0
[M]+ 322.20395 173.1
[M]- 322.20505 173.1
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.