CID 45479522

K-252d

Structural Information

Molecular Formula
C26H23N3O5
SMILES
C[C@H]1[C@@H]([C@H]([C@H](C(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)O)O)O
InChI
InChI=1S/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26?/m0/s1
InChIKey
FYQXRIMLEOPQQP-KBUURLSPSA-N
Compound name
3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-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

731
References

6
Patents

457.16376 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17104 210.5
[M+Na]+ 480.15298 224.8
[M+NH4]+ 475.19758 217.1
[M+K]+ 496.12692 224.4
[M-H]- 456.15648 214.3
[M+Na-2H]- 478.13843 209.4
[M]+ 457.16321 213.6
[M]- 457.16431 213.6
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.