CID 10388708

Schembl2919602

Structural Information

Molecular Formula
C22H26ClN5O3
SMILES
C1CN(CCN1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H26ClN5O3/c23-18-5-3-17(4-6-18)20-8-7-19(31-20)15-25-28-16-21(29)27(22(28)30)12-2-1-11-26-13-9-24-10-14-26/h3-8,15,24H,1-2,9-14,16H2/b25-15+
InChIKey
XNIVKBOABXGBLB-MFKUBSTISA-N
Compound name
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(4-piperazin-1-ylbutyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

443.17242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17970 208.7
[M+Na]+ 466.16164 213.5
[M-H]- 442.16514 215.9
[M+NH4]+ 461.20624 214.3
[M+K]+ 482.13558 207.1
[M+H-H2O]+ 426.16968 196.3
[M+HCOO]- 488.17062 218.2
[M+CH3COO]- 502.18627 215.2
[M+Na-2H]- 464.14709 202.8
[M]+ 443.17187 207.6
[M]- 443.17297 207.6
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.