CID 11820978

Lsdwpohlojrykz-yskgyzqpsa-n

Structural Information

Molecular Formula
C52H89BF2N5O18P3
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)(CCOC(=O)CCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C52H89BF2N5O18P3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-46(61)73-38-42(76-49(64)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-74-48(63)33-32-47(62)72-34-35-79(67,68)52(54,55)80(69,70)78-81(53,71)75-40-44-43(58-59-56)36-45(77-44)60-37-41(3)50(65)57-51(60)66/h37,42-45H,4-36,38-40H2,1-3H3,(H,67,68)(H,69,70)(H,57,65,66)/q-1/t42?,43-,44+,45+,81-/m0/s1
InChIKey
LSDWPOHLOJRYKZ-YSKGYZQPSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1213.5476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1214.5549 317.6
[M+Na]+ 1236.5368 319.6
[M-H]- 1212.5403 324.5
[M+NH4]+ 1231.5814 394.8
[M+K]+ 1252.5108 308.4
[M+H-H2O]+ 1196.5449 302.6
[M+HCOO]- 1258.5458 375.1
[M+CH3COO]- 1272.5615 343.7
[M+Na-2H]- 1234.5223 347.4
[M]+ 1213.5471 330.4
[M]- 1213.5481 330.4
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.