CID 3074778

Be 32030b

Structural Information

Molecular Formula
C41H65N5O10
SMILES
CCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C2(COC(=N2)C3=CC=CC=C3O)C)O
InChI
InChI=1S/C41H65N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(49)45(53)26-19-18-23-33(43-40(52)41(3)29-55-37(44-41)31-21-15-16-24-34(31)47)39(51)56-30(2)28-35(48)42-32-22-17-20-27-46(54)38(32)50/h15-16,21,24,30,32-33,47,53-54H,4-14,17-20,22-23,25-29H2,1-3H3,(H,42,48)(H,43,52)/t30?,32?,33-,41?/m0/s1
InChIKey
FLNBHUFQQNURAK-DYPCSIMSSA-N
Compound name
[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] (2S)-2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy(tetradecanoyl)amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

787.47314 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 788.48042 263.0
[M+Na]+ 810.46236 258.3
[M-H]- 786.46586 258.1
[M+NH4]+ 805.50696 260.3
[M+K]+ 826.43630 243.1
[M+H-H2O]+ 770.47040 239.7
[M+HCOO]- 832.47134 261.4
[M+CH3COO]- 846.48699 294.2
[M+Na-2H]- 808.44781 280.6
[M]+ 787.47259 279.3
[M]- 787.47369 279.3
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

No patent data available for this compound.