CID 16729449

Schembl12151927

Structural Information

Molecular Formula
C24H23FN4O2
SMILES
C1CC1N=C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)F
InChI
InChI=1S/C24H23FN4O2/c25-19-7-4-8-20-21(19)18(15-26-20)22(30)24(31)29-13-11-28(12-14-29)23(27-17-9-10-17)16-5-2-1-3-6-16/h1-8,15,17,26H,9-14H2
InChIKey
ANCWBMOGQZSKJB-UHFFFAOYSA-N
Compound name
1-[4-(N-cyclopropyl-C-phenylcarbonimidoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

418.1805 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18778 199.1
[M+Na]+ 441.16972 205.2
[M-H]- 417.17322 206.8
[M+NH4]+ 436.21432 202.1
[M+K]+ 457.14366 197.1
[M+H-H2O]+ 401.17776 187.6
[M+HCOO]- 463.17870 213.7
[M+CH3COO]- 477.19435 205.7
[M+Na-2H]- 439.15517 197.3
[M]+ 418.17995 196.4
[M]- 418.18105 196.4
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

patents stripe