CID 71587641

Nomcort ca8

Structural Information

Molecular Formula
C21H30N2O4
SMILES
CCCCC(CC)COC(=O)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C21H30N2O4/c1-3-5-9-15(4-2)14-27-19(24)13-18-21(26)22-17(20(25)23-18)12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,3-5,9,12-14H2,1-2H3,(H,22,26)(H,23,25)/t15?,17-,18-/m0/s1
InChIKey
WSGUUNPLPCSQMI-BEEDKBRMSA-N
Compound name
2-ethylhexyl 2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

374.22055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22783 193.4
[M+Na]+ 397.20977 195.6
[M-H]- 373.21327 192.8
[M+NH4]+ 392.25437 200.8
[M+K]+ 413.18371 190.4
[M+H-H2O]+ 357.21781 183.7
[M+HCOO]- 419.21875 204.7
[M+CH3COO]- 433.23440 215.0
[M+Na-2H]- 395.19522 189.7
[M]+ 374.22000 191.4
[M]- 374.22110 191.4
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