CID 155802051

Cryptophycin 10

Structural Information

Molecular Formula
C30H39ClN2O8
SMILES
C[C@H](CNC(=O)[C@@H](CC1=CC(=C(C=C1)OC)Cl)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]([C@H](C2=CC=CC=C2)OC)O)O)C(=O)O
InChI
InChI=1S/C30H39ClN2O8/c1-18(30(38)39)17-32-29(37)23(16-20-13-14-25(40-3)22(31)15-20)33-26(35)12-8-11-24(34)19(2)27(36)28(41-4)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,34,36H,11,16-17H2,1-4H3,(H,32,37)(H,33,35)(H,38,39)/b12-8+/t18-,19+,23-,24+,27-,28+/m1/s1
InChIKey
FTJYIKGBCOJBMK-JIQHABPYSA-N
Compound name
(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7-dihydroxy-8-methoxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.24678 237.0
[M+Na]+ 613.22872 233.6
[M-H]- 589.23222 237.7
[M+NH4]+ 608.27332 237.0
[M+K]+ 629.20266 232.6
[M+H-H2O]+ 573.23676 229.1
[M+HCOO]- 635.23770 243.1
[M+CH3COO]- 649.25335 258.5
[M+Na-2H]- 611.21417 226.2
[M]+ 590.23895 241.3
[M]- 590.24005 241.3
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.