CID 3060274

Brn 5607806

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)NC(C)C
InChI
InChI=1S/C20H31N3O2/c1-4-5-6-7-12-22-13-14-23(20(25)19(22)24)15-17-8-10-18(11-9-17)21-16(2)3/h8-11,16,21H,4-7,12-15H2,1-3H3
InChIKey
CTIACHYBXHSSPR-UHFFFAOYSA-N
Compound name
1-hexyl-4-[[4-(propan-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.24164 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 188.1
[M+Na]+ 368.23086 192.0
[M-H]- 344.23436 190.7
[M+NH4]+ 363.27546 198.4
[M+K]+ 384.20480 187.3
[M+H-H2O]+ 328.23890 178.0
[M+HCOO]- 390.23984 204.2
[M+CH3COO]- 404.25549 219.4
[M+Na-2H]- 366.21631 186.5
[M]+ 345.24109 187.7
[M]- 345.24219 187.7
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