CID 151592

Ficellomycin

Structural Information

Molecular Formula
C13H24N6O3
SMILES
CC(C)C(C(=O)NC(C1CC(C2N1C2)N=C(N)N)C(=O)O)N
InChI
InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)
InChIKey
DGIHWRUPUISVIZ-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylbutanoyl)amino]-2-[4-(diaminomethylideneamino)-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

180
Patents

312.19098 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19826 165.0
[M+Na]+ 335.18020 168.5
[M-H]- 311.18370 167.3
[M+NH4]+ 330.22480 174.0
[M+K]+ 351.15414 165.5
[M+H-H2O]+ 295.18824 158.8
[M+HCOO]- 357.18918 183.3
[M+CH3COO]- 371.20483 223.5
[M+Na-2H]- 333.16565 161.4
[M]+ 312.19043 161.9
[M]- 312.19153 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe