CID 29046

18374-06-6

Structural Information

Molecular Formula
C21H26N2O
SMILES
CN1CCCCC1COC2C3=C(CCC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C21H26N2O/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/h2-3,6-7,9-10,13,17,21H,4-5,8,11-12,14-15H2,1H3
InChIKey
FVDXZWVYGKUXQE-UHFFFAOYSA-N
Compound name
2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 178.9
[M+Na]+ 345.193718 183.1
[M-H]- 321.197224 184.1
[M+NH4]+ 340.238323 191.2
[M+K]+ 361.167658 180.9
[M+H-H2O]+ 305.201760 169.3
[M+HCOO]- 367.202701 191.9
[M+CH3COO]- 381.218351 187.1
[M+Na-2H]- 343.179166 182.4
[M]+ 322.20395142 172.6
[M]- 322.20504858 172.6
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.