CID 9938734

Cryptophycin 24

Structural Information

Molecular Formula
C34H42N2O8
SMILES
C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCCC(=O)O[C@H](C(=O)O1)CC(C)C)CC2=CC=C(C=C2)OC)[C@@H]3[C@H](O3)C4=CC=CC=C4
InChI
InChI=1S/C34H42N2O8/c1-21(2)19-28-34(40)43-27(22(3)31-32(44-31)24-9-6-5-7-10-24)11-8-12-29(37)36-26(33(39)35-18-17-30(38)42-28)20-23-13-15-25(41-4)16-14-23/h5-10,12-16,21-22,26-28,31-32H,11,17-20H2,1-4H3,(H,35,39)(H,36,37)/b12-8+/t22-,26+,27-,28-,31+,32+/m0/s1
InChIKey
GPUHMLPBKTYERL-DEIZWQRYSA-N
Compound name
(3S,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

92
Patents

606.2941 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.30138 236.1
[M+Na]+ 629.28332 238.8
[M-H]- 605.28682 243.8
[M+NH4]+ 624.32792 223.1
[M+K]+ 645.25726 238.6
[M+H-H2O]+ 589.29136 230.0
[M+HCOO]- 651.29230 240.1
[M+CH3COO]- 665.30795 253.8
[M+Na-2H]- 627.26877 227.8
[M]+ 606.29355 234.9
[M]- 606.29465 234.9
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

patents stripe