CID 482569

2-naphthoyl-carbonyl substituted neamine

Structural Information

Molecular Formula
C23H32N4O7
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)C3=CC=CC4=CC=CC=C43)O)O)N)O)O)N
InChI
InChI=1S/C23H32N4O7/c24-13-8-14(25)21(20(31)17(13)28)34-23-16(26)19(30)18(29)15(33-23)9-27-22(32)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-21,23,28-31H,8-9,24-26H2,(H,27,32)/t13-,14+,15-,16-,17+,18-,19-,20-,21-,23-/m1/s1
InChIKey
LKRFPNSUFAFZRW-FRAVBMQISA-N
Compound name
N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2271 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23438 212.2
[M+Na]+ 499.21632 213.2
[M-H]- 475.21982 215.9
[M+NH4]+ 494.26092 214.9
[M+K]+ 515.19026 211.5
[M+H-H2O]+ 459.22436 202.7
[M+HCOO]- 521.22530 220.9
[M+CH3COO]- 535.24095 246.3
[M+Na-2H]- 497.20177 207.5
[M]+ 476.22655 203.2
[M]- 476.22765 203.2
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.