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
2
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]+ 323.211776 180.9
[M+Na]+ 345.193718 185.0
[M-H]- 321.197224 185.8
[M+NH4]+ 340.238323 191.9
[M+K]+ 361.167658 178.3
[M+H-H2O]+ 305.201760 169.6
[M+HCOO]- 367.202701 192.5
[M+CH3COO]- 381.218351 188.7
[M+Na-2H]- 343.179166 182.0
[M]+ 322.20395142 173.1
[M]- 322.20504858 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

literature stripe

Patent stripe

patents stripe