CID 171990462

N-desmethylmajusculamide b

Structural Information

Molecular Formula
C27H43N3O5
SMILES
CCCCCCCC(=O)[C@H](C)C(=O)N(C)[C@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](C(C)C)C(=O)N
InChI
InChI=1S/C27H43N3O5/c1-7-8-9-10-11-12-23(31)19(4)27(34)30(5)22(17-20-13-15-21(35-6)16-14-20)26(33)29-24(18(2)3)25(28)32/h13-16,18-19,22,24H,7-12,17H2,1-6H3,(H2,28,32)(H,29,33)/t19-,22+,24-/m0/s1
InChIKey
XBZOMPFWSYHZND-KWOQKUFVSA-N
Compound name
(2S)-N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N,2-dimethyl-3-oxodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.32028 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.32756 228.1
[M+Na]+ 512.30950 225.1
[M-H]- 488.31300 229.9
[M+NH4]+ 507.35410 229.8
[M+K]+ 528.28344 225.9
[M+H-H2O]+ 472.31754 218.7
[M+HCOO]- 534.31848 211.7
[M+CH3COO]- 548.33413 256.4
[M+Na-2H]- 510.29495 216.5
[M]+ 489.31973 232.0
[M]- 489.32083 232.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.