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 187.0
[M+Na]+ 415.19115 185.0
[M+NH4]+ 410.23575 188.3
[M+K]+ 431.16509 188.6
[M-H]- 391.19465 187.2
[M+Na-2H]- 413.17660 182.8
[M]+ 392.20138 185.4
[M]- 392.20248 185.4
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

patents stripe