CID 15410442

Bdp fl nhs ester

Structural Information

Molecular Formula
C18H18BF2N3O4
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)ON4C(=O)CCC4=O)C)C)(F)F
InChI
InChI=1S/C18H18BF2N3O4/c1-11-9-12(2)22-15(11)10-14-4-3-13(23(14)19(22,20)21)5-8-18(27)28-24-16(25)6-7-17(24)26/h3-4,9-10H,5-8H2,1-2H3
InChIKey
SDVMGNSTOAJONW-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14311 187.0
[M+Na]+ 412.12505 196.5
[M+NH4]+ 407.16965 192.6
[M+K]+ 428.09899 197.2
[M-H]- 388.12855 185.2
[M+Na-2H]- 410.11050 187.4
[M]+ 389.13528 187.4
[M]- 389.13638 187.4
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.