CID 10371754
Cryptophycin 29
Structural Information
- Molecular Formula
- C34H41ClN2O7
- SMILES
- C[C@H](/C=C/C1=CC=CC=C1)[C@@H]2C/C=C/C(=O)N[C@@H](C(=O)NCCC(=O)O[C@H](C(=O)O2)CC(C)C)CC3=CC(=C(C=C3)OC)Cl
- InChI
- InChI=1S/C34H41ClN2O7/c1-22(2)19-30-34(41)44-28(23(3)13-14-24-9-6-5-7-10-24)11-8-12-31(38)37-27(33(40)36-18-17-32(39)43-30)21-25-15-16-29(42-4)26(35)20-25/h5-10,12-16,20,22-23,27-28,30H,11,17-19,21H2,1-4H3,(H,36,40)(H,37,38)/b12-8+,14-13+/t23-,27-,28+,30+/m1/s1
- InChIKey
- XFXOMGLTDWTPTP-SEZBCZDQSA-N
- Compound name
- (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 625.26753 | 249.5 |
[M+Na]+ | 647.24947 | 251.6 |
[M-H]- | 623.25297 | 253.2 |
[M+NH4]+ | 642.29407 | 241.7 |
[M+K]+ | 663.22341 | 247.5 |
[M+H-H2O]+ | 607.25751 | 242.2 |
[M+HCOO]- | 669.25845 | 249.0 |
[M+CH3COO]- | 683.27410 | 254.1 |
[M+Na-2H]- | 645.23492 | 238.9 |
[M]+ | 624.25970 | 246.3 |
[M]- | 624.26080 | 246.3 |
Literature stripe
Patent stripe
No patent data available for this compound.