CID 392237

Nsc692370

Structural Information

Molecular Formula
C28H32N4O6
SMILES
CC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)OC
InChI
InChI=1S/C28H32N4O6/c1-15(33)29-23(27(35)37-3)13-19-17-9-5-7-11-21(17)31-25(19)26-20(18-10-6-8-12-22(18)32-26)14-24(28(36)38-4)30-16(2)34/h5-12,19,23-25,31-32H,13-14H2,1-4H3,(H,29,33)(H,30,34)
InChIKey
RBUVMSBPJUMUHG-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxopropyl)-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.23948 223.3
[M+Na]+ 543.22142 224.2
[M-H]- 519.22492 226.8
[M+NH4]+ 538.26602 229.3
[M+K]+ 559.19536 221.7
[M+H-H2O]+ 503.22946 215.2
[M+HCOO]- 565.23040 236.0
[M+CH3COO]- 579.24605 247.4
[M+Na-2H]- 541.20687 217.6
[M]+ 520.23165 225.7
[M]- 520.23275 225.7
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.