CID 24843202

103365-70-4

Structural Information

Molecular Formula
C24H30N6O6
SMILES
CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)C3(CC=CC=C3)COC(=O)[C@@H]4CCCN4
InChI
InChI=1S/C24H30N6O6/c1-30-19(31)11-18(29-23(30)35)21(33)28-17(10-15-12-25-14-27-15)20(32)24(7-3-2-4-8-24)13-36-22(34)16-6-5-9-26-16/h2-4,7,12,14,16-18,26H,5-6,8-11,13H2,1H3,(H,25,27)(H,28,33)(H,29,35)/t16-,17-,18-,24?/m0/s1
InChIKey
ONOMSFHYRIOARB-FGQQDVSRSA-N
Compound name
[1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoyl]cyclohexa-2,4-dien-1-yl]methyl (2S)-pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2227 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22998 210.7
[M+Na]+ 521.21192 209.3
[M-H]- 497.21542 212.5
[M+NH4]+ 516.25652 212.0
[M+K]+ 537.18586 205.6
[M+H-H2O]+ 481.21996 200.2
[M+HCOO]- 543.22090 215.6
[M+CH3COO]- 557.23655 233.0
[M+Na-2H]- 519.19737 203.4
[M]+ 498.22215 202.2
[M]- 498.22325 202.2
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.