CID 159845

Mitomycin f

Structural Information

Molecular Formula
C17H21N3O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)OC
InChI
InChI=1S/C17H21N3O6/c1-7-12(21)11-10(13(22)14(7)24-3)8(6-26-16(18)23)17(25-4)15-9(19(15)2)5-20(11)17/h8-9,15H,5-6H2,1-4H3,(H2,18,23)/t8-,9+,15+,17-,19?/m1/s1
InChIKey
FMMDHGNWABITNT-JZWICRQDSA-N
Compound name
[(4S,6S,7R,8S)-7,11-dimethoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

93
Patents

363.14304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15032 184.0
[M+Na]+ 386.13226 193.7
[M+NH4]+ 381.17686 191.1
[M+K]+ 402.10620 193.4
[M-H]- 362.13576 189.8
[M+Na-2H]- 384.11771 184.7
[M]+ 363.14249 187.9
[M]- 363.14359 187.9
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