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 202.4
[M+Na]+ 433.23742 206.7
[M-H]- 409.24092 208.9
[M+NH4]+ 428.28202 212.5
[M+K]+ 449.21136 200.6
[M+H-H2O]+ 393.24546 188.7
[M+HCOO]- 455.24640 216.3
[M+CH3COO]- 469.26205 209.4
[M+Na-2H]- 431.22287 199.8
[M]+ 410.24765 197.5
[M]- 410.24875 197.5
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.