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]+ 323.21178 178.9
[M+Na]+ 345.19372 183.1
[M-H]- 321.19722 184.1
[M+NH4]+ 340.23832 191.2
[M+K]+ 361.16766 180.9
[M+H-H2O]+ 305.20176 169.3
[M+HCOO]- 367.20270 191.9
[M+CH3COO]- 381.21835 187.1
[M+Na-2H]- 343.17917 182.4
[M]+ 322.20395 172.6
[M]- 322.20505 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.