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]+ 377.181956 189.1
[M+Na]+ 399.163898 199.2
[M-H]- 375.167404 191.8
[M+NH4]+ 394.208503 201.3
[M+K]+ 415.137838 192.3
[M+H-H2O]+ 359.171940 185.3
[M+HCOO]- 421.172881 203.3
[M+CH3COO]- 435.188531 225.7
[M+Na-2H]- 397.149346 188.4
[M]+ 376.17413142 195.3
[M]- 376.17522858 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.