CID 6438635

Mazethramycin

Structural Information

Molecular Formula
C17H19N3O4
SMILES
CC1=C(C2=C(C=C1)C(=O)N3CC(=CC3C(N2)O)/C=C/C(=O)NC)O
InChI
InChI=1S/C17H19N3O4/c1-9-3-5-11-14(15(9)22)19-16(23)12-7-10(4-6-13(21)18-2)8-20(12)17(11)24/h3-7,12,16,19,22-23H,8H2,1-2H3,(H,18,21)/b6-4+
InChIKey
VMOHRPRQENZZPX-GQCTYLIASA-N
Compound name
(E)-3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

689
Patents

329.13754 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 177.7
[M+Na]+ 352.12676 184.5
[M-H]- 328.13026 178.9
[M+NH4]+ 347.17136 190.5
[M+K]+ 368.10070 183.4
[M+H-H2O]+ 312.13480 171.0
[M+HCOO]- 374.13574 191.0
[M+CH3COO]- 388.15139 208.0
[M+Na-2H]- 350.11221 177.2
[M]+ 329.13699 173.2
[M]- 329.13809 173.2
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