CID 71771465

104180-19-0

Structural Information

Molecular Formula
C28H32N4O5
SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C28H32N4O5/c1-19(2)14-24(27(35)31-23-13-12-21-10-6-7-11-22(21)15-23)32-26(34)17-29-25(33)16-30-28(36)37-18-20-8-4-3-5-9-20/h3-13,15,19,24H,14,16-18H2,1-2H3,(H,29,33)(H,30,36)(H,31,35)(H,32,34)/t24-/m0/s1
InChIKey
VBIDJZXPYAOJSD-DEOSSOPVSA-N
Compound name
benzyl N-[2-[[2-[[(2S)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.23727 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24455 221.0
[M+Na]+ 527.22649 218.6
[M-H]- 503.22999 226.1
[M+NH4]+ 522.27109 225.6
[M+K]+ 543.20043 217.0
[M+H-H2O]+ 487.23453 210.0
[M+HCOO]- 549.23547 239.9
[M+CH3COO]- 563.25112 252.7
[M+Na-2H]- 525.21194 220.2
[M]+ 504.23672 221.2
[M]- 504.23782 221.2
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.