CID 173250

Mitomycin h

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3(C2=C)O)N4C)OC
InChI
InChI=1S/C15H16N2O4/c1-6-11(18)10-9(12(19)13(6)21-4)7(2)15(20)14-8(16(14)3)5-17(10)15/h8,14,20H,2,5H2,1,3-4H3/t8-,14-,15+,16?/m0/s1
InChIKey
VZIAQNJZWSNNKZ-ZDAIXBBBSA-N
Compound name
(4S,6S,7R)-7-hydroxy-11-methoxy-5,12-dimethyl-8-methylidene-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

288.111 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 167.9
[M+Na]+ 311.10022 180.2
[M+NH4]+ 306.14482 176.8
[M+K]+ 327.07416 178.2
[M-H]- 287.10372 174.3
[M+Na-2H]- 309.08567 170.1
[M]+ 288.11045 172.6
[M]- 288.11155 172.6
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