CID 471075

Stk655710

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CN1C2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C(=O)C4=CC=CO4
InChI
InChI=1S/C19H19N3O3/c1-20-15-6-3-2-5-14(15)13-16(20)18(23)21-8-10-22(11-9-21)19(24)17-7-4-12-25-17/h2-7,12-13H,8-11H2,1H3
InChIKey
RLRIYMJNUAGJPK-UHFFFAOYSA-N
Compound name
furan-2-yl-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 178.7
[M+Na]+ 360.13186 186.0
[M-H]- 336.13536 186.6
[M+NH4]+ 355.17646 190.9
[M+K]+ 376.10580 182.8
[M+H-H2O]+ 320.13990 169.3
[M+HCOO]- 382.14084 195.2
[M+CH3COO]- 396.15649 189.0
[M+Na-2H]- 358.11731 177.4
[M]+ 337.14209 179.2
[M]- 337.14319 179.2
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.