CID 73014123

Diethyl 2,2'-(((5-(2-amino-5-isobutylthiazol-4-yl)furan-2-yl)phosphanediyl)bis(azanediyl))(2s,2's)-dipropionate

Structural Information

Molecular Formula
C21H33N4O5PS
SMILES
CCOC(=O)[C@H](C)NP(C1=CC=C(O1)C2=C(SC(=N2)N)CC(C)C)N[C@@H](C)C(=O)OCC
InChI
InChI=1S/C21H33N4O5PS/c1-7-28-19(26)13(5)24-31(25-14(6)20(27)29-8-2)17-10-9-15(30-17)18-16(11-12(3)4)32-21(22)23-18/h9-10,12-14,24-25H,7-8,11H2,1-6H3,(H2,22,23)/t13-,14-/m0/s1
InChIKey
JGCMEVUWRCNKKE-KBPBESRZSA-N
Compound name
ethyl (2S)-2-[[[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphanyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

484.19092 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.19820 216.1
[M+Na]+ 507.18014 218.3
[M+NH4]+ 502.22474 217.7
[M+K]+ 523.15408 219.9
[M-H]- 483.18364 216.8
[M+Na-2H]- 505.16559 214.7
[M]+ 484.19037 216.1
[M]- 484.19147 216.1
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

patents stripe