CID 10100233

Pamamycin

Structural Information

Molecular Formula
C35H61NO7
SMILES
CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C
InChI
InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1
InChIKey
AHOIPAFUOXGGQB-IKNPUDIKSA-N
Compound name
(1R,2S,5S,6R,7S,10R,11R,14S,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

260
Patents

607.4448 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.45208 255.1
[M+Na]+ 630.43402 253.1
[M-H]- 606.43752 261.4
[M+NH4]+ 625.47862 257.0
[M+K]+ 646.40796 255.8
[M+H-H2O]+ 590.44206 259.4
[M+HCOO]- 652.44300 254.9
[M+CH3COO]- 666.45865 267.5
[M+Na-2H]- 628.41947 240.1
[M]+ 607.44425 256.0
[M]- 607.44535 256.0
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

patents stripe