CID 5897379

Mazethramycin b

Structural Information

Molecular Formula

C₁₈H₂₁N₃O₄

SMILES

CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)/C=C/C(=O)NC)O

InChI

InChI=1S/C18H21N3O4/c1-10-4-6-12-15(16(10)23)20-17(25-3)13-8-11(5-7-14(22)19-2)9-21(13)18(12)24/h4-7,9,13,17,20,23H,8H2,1-3H3,(H,19,22)/b7-5+

InChIKey

DBZISAXLVWRHPS-FNORWQNLSA-N

Compound name

(E)-3-(4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.1532 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	344.160476	181.2
[M+Na]+	366.142418	188.1
[M-H]-	342.145924	183.5
[M+NH4]+	361.187023	194.1
[M+K]+	382.116358	187.4
[M+H-H2O]+	326.150460	174.2
[M+HCOO]-	388.151401	195.6
[M+CH3COO]-	402.167051	212.7
[M+Na-2H]-	364.127866	180.7
[M]+	343.15265142	178.7
[M]-	343.15374858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe