CID 29578

Brn 1493557

Structural Information

Molecular Formula
C21H24N2O
SMILES
CN1CCCCC1COC2C3=C(C=CC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C21H24N2O/c1-23-14-5-4-8-17(23)15-24-21-18-9-3-2-7-16(18)11-12-20-19(21)10-6-13-22-20/h2-3,6-7,9-13,17,21H,4-5,8,14-15H2,1H3
InChIKey
NQOHKTKQEOCHSM-UHFFFAOYSA-N
Compound name
2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.2
[M+Na]+ 343.17809 183.4
[M-H]- 319.18159 183.8
[M+NH4]+ 338.22269 190.7
[M+K]+ 359.15203 181.2
[M+H-H2O]+ 303.18613 168.8
[M+HCOO]- 365.18707 192.5
[M+CH3COO]- 379.20272 187.0
[M+Na-2H]- 341.16354 182.7
[M]+ 320.18832 173.3
[M]- 320.18942 173.3
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

patents stripe