CID 11820977

Lobpjjiuyojzhh-rooybkppsa-n

Structural Information

Molecular Formula
C48H83BF2N5O18P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCOC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C48H83BF2N5O18P3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-43(57)67-34-39(72-44(58)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-68-47(61)69-37-71-75(62,63)48(50,51)76(64,65)74-77(49,66)70-36-41-40(54-55-52)32-42(73-41)56-33-38(3)45(59)53-46(56)60/h33,39-42H,4-32,34-37H2,1-3H3,(H,62,63)(H,64,65)(H,53,59,60)/q-1/t39?,40-,41+,42+,77-/m0/s1
InChIKey
LOBPJJIUYOJZHH-ROOYBKPPSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1159.5007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1160.5080 310.9
[M+Na]+ 1182.4899 313.0
[M-H]- 1158.4934 316.9
[M+NH4]+ 1177.5345 385.0
[M+K]+ 1198.4639 302.4
[M+H-H2O]+ 1142.4980 296.3
[M+HCOO]- 1204.4989 370.1
[M+CH3COO]- 1218.5146 335.9
[M+Na-2H]- 1180.4754 339.1
[M]+ 1159.5002 321.8
[M]- 1159.5012 321.8
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.