CID 132826

148201-60-9

Structural Information

Molecular Formula
C25H25FN4O5
SMILES
CCCC(C(=O)NC1CCCN1C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N
InChI
InChI=1S/C25H25FN4O5/c1-2-6-16(27)24(32)28-19-9-5-10-29(19)21-15(26)11-13-20-23(21)35-18-8-4-3-7-17(18)30(20)12-14(22(13)31)25(33)34/h3-4,7-8,11-12,16,19H,2,5-6,9-10,27H2,1H3,(H,28,32)(H,33,34)
InChIKey
XBCBFIDZWDKXAN-UHFFFAOYSA-N
Compound name
10-[2-(2-aminopentanoylamino)pyrrolidin-1-yl]-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1
Patents

480.1809 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18818 213.5
[M+Na]+ 503.17012 218.5
[M-H]- 479.17362 216.9
[M+NH4]+ 498.21472 220.0
[M+K]+ 519.14406 214.6
[M+H-H2O]+ 463.17816 203.1
[M+HCOO]- 525.17910 222.7
[M+CH3COO]- 539.19475 219.3
[M+Na-2H]- 501.15557 211.6
[M]+ 480.18035 213.4
[M]- 480.18145 213.4
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.