CID 4184072

100940-58-7

Structural Information

Molecular Formula
C27H30N4O6
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(CCC(=O)O)N
InChI
InChI=1S/C27H30N4O6/c1-37-23-15-19(14-18-9-5-6-10-20(18)23)30-27(36)22(13-17-7-3-2-4-8-17)31-24(32)16-29-26(35)21(28)11-12-25(33)34/h2-10,14-15,21-22H,11-13,16,28H2,1H3,(H,29,35)(H,30,36)(H,31,32)(H,33,34)
InChIKey
PBDYNZJYYRZOFV-UHFFFAOYSA-N
Compound name
4-amino-5-[[2-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.21652 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.22380 218.4
[M+Na]+ 529.20574 216.5
[M-H]- 505.20924 222.2
[M+NH4]+ 524.25034 222.0
[M+K]+ 545.17968 215.3
[M+H-H2O]+ 489.21378 207.9
[M+HCOO]- 551.21472 235.6
[M+CH3COO]- 565.23037 252.5
[M+Na-2H]- 527.19119 216.4
[M]+ 506.21597 217.6
[M]- 506.21707 217.6
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.