CID 399539

Nsc710403

Structural Information

Molecular Formula
C28H29N3O6
SMILES
CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C28H29N3O6/c1-3-35-26(32)16-15-22(28(34)36-4-2)30-27(33)19-11-13-20(14-12-19)37-18-23-25-10-7-17-31(25)24-9-6-5-8-21(24)29-23/h5-14,17,22H,3-4,15-16,18H2,1-2H3,(H,30,33)
InChIKey
RHNOBPWFHZWHCU-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

503.20563 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.21291 221.2
[M+Na]+ 526.19485 224.6
[M-H]- 502.19835 226.4
[M+NH4]+ 521.23945 227.4
[M+K]+ 542.16879 221.4
[M+H-H2O]+ 486.20289 209.9
[M+HCOO]- 548.20383 237.9
[M+CH3COO]- 562.21948 243.8
[M+Na-2H]- 524.18030 221.0
[M]+ 503.20508 229.3
[M]- 503.20618 229.3
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.