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 202.4
[M+Na]+ 479.16897 214.0
[M-H]- 455.17247 208.4
[M+NH4]+ 474.21357 215.5
[M+K]+ 495.14291 206.3
[M+H-H2O]+ 439.17701 195.8
[M+HCOO]- 501.17795 212.1
[M+CH3COO]- 515.19360 210.7
[M+Na-2H]- 477.15442 201.5
[M]+ 456.17920 203.9
[M]- 456.18030 203.9
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.