CID 374150

Nsc651607

Structural Information

Molecular Formula
C20H21N3O4
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C20H21N3O4/c24-18(16-10-21-17-2-1-14(23(26)27)6-15(16)17)19(25)22-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,21H,3-5,7-9H2,(H,22,25)
InChIKey
YPIARDJHELDZPP-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 168.9
[M+Na]+ 390.14242 167.8
[M-H]- 366.14592 165.2
[M+NH4]+ 385.18702 186.3
[M+K]+ 406.11636 160.2
[M+H-H2O]+ 350.15046 165.0
[M+HCOO]- 412.15140 174.3
[M+CH3COO]- 426.16705 216.9
[M+Na-2H]- 388.12787 179.6
[M]+ 367.15265 167.3
[M]- 367.15375 167.3
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.