CID 3060283

77918-02-6

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)N(CC)CC)C
InChI
InChI=1S/C22H35N3O2/c1-5-8-9-10-13-24-14-15-25(22(27)21(24)26)17-19-11-12-20(18(4)16-19)23(6-2)7-3/h11-12,16H,5-10,13-15,17H2,1-4H3
InChIKey
MXNPOEQUAQSLLM-UHFFFAOYSA-N
Compound name
1-[[4-(diethylamino)-3-methylphenyl]methyl]-4-hexylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.27292 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 196.4
[M+Na]+ 396.26214 200.8
[M-H]- 372.26564 200.5
[M+NH4]+ 391.30674 206.6
[M+K]+ 412.23608 196.6
[M+H-H2O]+ 356.27018 185.9
[M+HCOO]- 418.27112 213.3
[M+CH3COO]- 432.28677 229.0
[M+Na-2H]- 394.24759 193.5
[M]+ 373.27237 199.0
[M]- 373.27347 199.0
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