CID 13966555

7-propylamino-9a-methoxymitosane

Structural Information

Molecular Formula
C18H24N4O5
SMILES
CCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C
InChI
InChI=1S/C18H24N4O5/c1-4-5-20-12-8(2)14(23)13-11(15(12)24)9(7-27-17(19)25)18(26-3)16-10(21-16)6-22(13)18/h9-10,16,20-21H,4-7H2,1-3H3,(H2,19,25)/t9-,10+,16+,18-/m1/s1
InChIKey
MFUIQIIDSGSITA-QJIICXBUSA-N
Compound name
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(propylamino)-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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18196 189.1
[M+Na]+ 399.16390 199.2
[M-H]- 375.16740 191.8
[M+NH4]+ 394.20850 201.3
[M+K]+ 415.13784 192.3
[M+H-H2O]+ 359.17194 185.3
[M+HCOO]- 421.17288 203.3
[M+CH3COO]- 435.18853 225.7
[M+Na-2H]- 397.14935 188.4
[M]+ 376.17413 195.3
[M]- 376.17523 195.3
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.