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
2
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]+ 444.179696 208.7
[M+Na]+ 466.161638 213.5
[M-H]- 442.165144 215.9
[M+NH4]+ 461.206243 214.3
[M+K]+ 482.135578 207.1
[M+H-H2O]+ 426.169680 196.3
[M+HCOO]- 488.170621 218.2
[M+CH3COO]- 502.186271 215.2
[M+Na-2H]- 464.147086 202.8
[M]+ 443.17187142 207.6
[M]- 443.17296858 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

literature stripe

Patent stripe

patents stripe