CID 135848733

Antibiotic sf 2415a3

Structural Information

Molecular Formula
C26H30Cl2N2O5
SMILES
CC1=C(C2=C(C(=[N+]=[N-])C1=O)C(=O)C3(C(C2=O)(CC(C(O3)(C)C)Cl)Cl)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C26H30Cl2N2O5/c1-13(2)8-7-9-14(3)10-11-26-23(34)17-18(20(31)15(4)21(32)19(17)30-29)22(33)25(26,28)12-16(27)24(5,6)35-26/h8,10,16,31H,7,9,11-12H2,1-6H3/b14-10+
InChIKey
GVDGCOQYLNQNKJ-GXDHUFHOSA-N
Compound name
(9Z)-3,4a-dichloro-9-diazo-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1532 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.16048 213.4
[M+Na]+ 543.14242 220.9
[M-H]- 519.14592 217.1
[M+NH4]+ 538.18702 227.1
[M+K]+ 559.11636 210.6
[M+H-H2O]+ 503.15046 215.3
[M+HCOO]- 565.15140 216.5
[M+CH3COO]- 579.16705 242.7
[M+Na-2H]- 541.12787 214.3
[M]+ 520.15265 215.8
[M]- 520.15375 215.8
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.