CID 129009781

N-propylmitomycin c

Structural Information

Molecular Formula
C18H24N4O5
SMILES
CCCN1[C@@H]2[C@H]1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
InChI
InChI=1S/C18H24N4O5/c1-4-5-21-10-6-22-13-11(15(24)12(19)8(2)14(13)23)9(7-27-17(20)25)18(22,26-3)16(10)21/h9-10,16H,4-7,19H2,1-3H3,(H2,20,25)/t9-,10+,16+,18-,21?/m1/s1
InChIKey
OMMVTJZGPBOJAF-XMJITDGZSA-N
Compound name
[(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-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

0
References

0
Patents

376.17468 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18196 186.0
[M+Na]+ 399.16390 194.5
[M+NH4]+ 394.20850 192.8
[M+K]+ 415.13784 194.3
[M-H]- 375.16740 192.2
[M+Na-2H]- 397.14935 186.5
[M]+ 376.17413 189.7
[M]- 376.17523 189.7
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.