CID 15403381

3-[(2r,4r,5r)-4-amino-5,6-dihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

Structural Information

Molecular Formula
C26H24N4O4
SMILES
CC1([C@@H]([C@@H](C[C@@H](O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)N)O)O
InChI
InChI=1S/C26H24N4O4/c1-26(33)24(31)15(27)10-18(34-26)30-17-9-5-3-7-13(17)20-21-14(11-28-25(21)32)19-12-6-2-4-8-16(12)29-22(19)23(20)30/h2-9,15,18,24,29,31,33H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26?/m1/s1
InChIKey
LPTYIIOZCJOTKS-FNMALOSOSA-N
Compound name
3-[(2R,4R,5R)-4-amino-5,6-dihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

456.17975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18703 208.4
[M+Na]+ 479.16897 222.0
[M+NH4]+ 474.21357 216.6
[M+K]+ 495.14291 219.6
[M-H]- 455.17247 212.9
[M+Na-2H]- 477.15442 209.3
[M]+ 456.17920 211.7
[M]- 456.18030 211.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.