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

33
Patents

288.111 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 172.4
[M+Na]+ 311.100218 187.0
[M-H]- 287.103724 176.5
[M+NH4]+ 306.144823 189.4
[M+K]+ 327.074158 179.7
[M+H-H2O]+ 271.108260 168.9
[M+HCOO]- 333.109201 186.9
[M+CH3COO]- 347.124851 206.5
[M+Na-2H]- 309.085666 171.9
[M]+ 288.11045142 179.1
[M]- 288.11154858 179.1
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