CID 120434110

2050078-95-8

Structural Information

Molecular Formula
C21H27FN4
SMILES
CN1C=CN=C1CN(C/C=C/C2=CC=C(C=C2)F)C3CC34CCNCC4
InChI
InChI=1S/C21H27FN4/c1-25-14-12-24-20(25)16-26(19-15-21(19)8-10-23-11-9-21)13-2-3-17-4-6-18(22)7-5-17/h2-7,12,14,19,23H,8-11,13,15-16H2,1H3/b3-2+
InChIKey
PSGRWNOWDPBUOA-NSCUHMNNSA-N
Compound name
N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.222 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22928 188.5
[M+Na]+ 377.21122 194.8
[M-H]- 353.21472 194.2
[M+NH4]+ 372.25582 195.9
[M+K]+ 393.18516 187.8
[M+H-H2O]+ 337.21926 177.1
[M+HCOO]- 399.22020 204.1
[M+CH3COO]- 413.23585 196.0
[M+Na-2H]- 375.19667 188.4
[M]+ 354.22145 185.3
[M]- 354.22255 185.3
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

No patent data available for this compound.