CID 3057704

Mitomycin g

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3(C2=C)OC)N4C)OC
InChI
InChI=1S/C16H18N2O4/c1-7-12(19)11-10(13(20)14(7)21-4)8(2)16(22-5)15-9(17(15)3)6-18(11)16/h9,15H,2,6H2,1,3-5H3/t9-,15-,16+,17?/m0/s1
InChIKey
CBMFIOOVRYZOBT-DAWNIORJSA-N
Compound name
(4S,6S,7R)-7,11-dimethoxy-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

3
References

61
Patents

302.12665 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 177.3
[M+Na]+ 325.11587 191.8
[M-H]- 301.11937 182.4
[M+NH4]+ 320.16047 194.3
[M+K]+ 341.08981 185.1
[M+H-H2O]+ 285.12391 173.2
[M+HCOO]- 347.12485 192.8
[M+CH3COO]- 361.14050 211.4
[M+Na-2H]- 323.10132 176.5
[M]+ 302.12610 185.9
[M]- 302.12720 185.9
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.