CID 380312

102504-83-6

Structural Information

Molecular Formula
C24H31FN4O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCN(C)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C24H31FN4O/c1-26(21-11-9-20(25)10-12-21)15-6-16-28-17-13-24(14-18-28)23(30)27(2)19-29(24)22-7-4-3-5-8-22/h3-5,7-12H,6,13-19H2,1-2H3
InChIKey
KXXGWUKFRCTNKX-UHFFFAOYSA-N
Compound name
8-[3-(4-fluoro-N-methylanilino)propyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2482 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25548 203.5
[M+Na]+ 433.23742 214.8
[M+NH4]+ 428.28202 211.1
[M+K]+ 449.21136 206.5
[M-H]- 409.24092 208.2
[M+Na-2H]- 431.22287 211.2
[M]+ 410.24765 206.3
[M]- 410.24875 206.3
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.