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

1
Patents

343.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 181.2
[M+Na]+ 366.14242 188.1
[M-H]- 342.14592 183.5
[M+NH4]+ 361.18702 194.1
[M+K]+ 382.11636 187.4
[M+H-H2O]+ 326.15046 174.2
[M+HCOO]- 388.15140 195.6
[M+CH3COO]- 402.16705 212.7
[M+Na-2H]- 364.12787 180.7
[M]+ 343.15265 178.7
[M]- 343.15375 178.7
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