CID 3012908

[6-[[(2s)-4-amino-2-hydroxy-butyl]-(3-aminopropyl)amino]-6-oxo-hexyl] ethyl(methyl)dispiro[[?]]carboxylate

Structural Information

Molecular Formula
C35H61N6O6
SMILES
CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCC(=O)N(CCCN)C[C@H](CCN)O)CCC[C@H](O5)C
InChI
InChI=1S/C35H60N6O6/c1-3-28-12-6-7-17-34(47-28)23-26-14-15-29-31(35(18-9-11-25(2)46-35)39-33(38-34)41(26)29)32(44)45-22-8-4-5-13-30(43)40(21-10-19-36)24-27(42)16-20-37/h6,12,25-29,31,42H,3-5,7-11,13-24,36-37H2,1-2H3,(H,38,39)/p+1/t25-,26+,27+,28+,29-,31-,34+,35-/m1/s1
InChIKey
WZUHYGMTUKTYNZ-WHGUPBNZSA-O
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

661.4653 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.47258 256.5
[M+Na]+ 684.45452 249.8
[M-H]- 660.45802 256.1
[M+NH4]+ 679.49912 254.5
[M+K]+ 700.42846 246.4
[M+H-H2O]+ 644.46256 246.9
[M+HCOO]- 706.46350 251.6
[M+CH3COO]- 720.47915 266.0
[M+Na-2H]- 682.43997 252.5
[M]+ 661.46475 246.4
[M]- 661.46585 246.4
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

No patent data available for this compound.