CID 3063130

Antibiotic ac 4437

Structural Information

Molecular Formula
C14H28N6O7
SMILES
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)O)(C)O
InChI
InChI=1S/C14H28N6O7/c1-3-14(2,25)10(24)11(26-3)27-9-5(20-13(17)18)6(21)4(19-12(15)16)7(22)8(9)23/h3-11,21-25H,1-2H3,(H4,15,16,19)(H4,17,18,20)
InChIKey
KLBOIHBSAHNBEF-UHFFFAOYSA-N
Compound name
2-[3-(diaminomethylideneamino)-4-(3,4-dihydroxy-4,5-dimethyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

392.20193 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20921 197.8
[M+Na]+ 415.19115 199.4
[M-H]- 391.19465 193.1
[M+NH4]+ 410.23575 199.2
[M+K]+ 431.16509 205.5
[M+H-H2O]+ 375.19919 180.8
[M+HCOO]- 437.20013 201.5
[M+CH3COO]- 451.21578 235.6
[M+Na-2H]- 413.17660 227.8
[M]+ 392.20138 212.0
[M]- 392.20248 212.0
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

patents stripe