CID 392238

Nsc692371

Structural Information

Molecular Formula
C32H38N6O8
SMILES
CC(=O)NCC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)CNC(=O)C)C(=O)OC
InChI
InChI=1S/C32H38N6O8/c1-17(39)33-15-27(41)35-25(31(43)45-3)13-21-19-9-5-7-11-23(19)37-29(21)30-22(20-10-6-8-12-24(20)38-30)14-26(32(44)46-4)36-28(42)16-34-18(2)40/h5-12,21,25-26,29,37-38H,13-16H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)
InChIKey
NAYAKQBNRFHPQA-UHFFFAOYSA-N
Compound name
methyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-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

634.2751 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.28238 239.8
[M+Na]+ 657.26432 243.4
[M-H]- 633.26782 240.5
[M+NH4]+ 652.30892 242.8
[M+K]+ 673.23826 241.9
[M+H-H2O]+ 617.27236 234.4
[M+HCOO]- 679.27330 244.1
[M+CH3COO]- 693.28895 273.5
[M+Na-2H]- 655.24977 257.2
[M]+ 634.27455 271.4
[M]- 634.27565 271.4
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.