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]+ 289.11828 172.4
[M+Na]+ 311.10022 187.0
[M-H]- 287.10372 176.5
[M+NH4]+ 306.14482 189.4
[M+K]+ 327.07416 179.7
[M+H-H2O]+ 271.10826 168.9
[M+HCOO]- 333.10920 186.9
[M+CH3COO]- 347.12485 206.5
[M+Na-2H]- 309.08567 171.9
[M]+ 288.11045 179.1
[M]- 288.11155 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.