CID 24878746

Dragonamide c

Structural Information

Molecular Formula
C33H57N5O6
SMILES
CC(C)[C@@H](C(=O)N)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)/C=C(\CCCC#C)/OC
InChI
InChI=1S/C33H57N5O6/c1-15-16-17-18-24(44-14)19-25(39)35(10)27(21(4)5)31(41)37(12)29(23(8)9)33(43)38(13)28(22(6)7)32(42)36(11)26(20(2)3)30(34)40/h1,19-23,26-29H,16-18H2,2-14H3,(H2,34,40)/b24-19+/t26-,27-,28-,29-/m0/s1
InChIKey
KDOGKGLXTJQXRR-USBBLSJNSA-N
Compound name
(E)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methoxy-N-methyloct-2-en-7-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2
Patents

619.4309 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.43818 271.1
[M+Na]+ 642.42012 291.4
[M-H]- 618.42362 291.4
[M+NH4]+ 637.46472 299.0
[M+K]+ 658.39406 292.8
[M+H-H2O]+ 602.42816 279.0
[M+HCOO]- 664.42910 244.5
[M+CH3COO]- 678.44475 290.3
[M+Na-2H]- 640.40557 269.4
[M]+ 619.43035 267.7
[M]- 619.43145 267.7
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