CID 54574320

184021-91-8

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(CC(=O)N2)C=C1
InChI
InChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)14-9-5-4-8-6-11(16)15-10(8)7-9/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZZMDNEIXGBMMFK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxo-1,3-dihydroindol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.123366 156.8
[M+Na]+ 271.105308 163.9
[M-H]- 247.108814 158.8
[M+NH4]+ 266.149913 174.9
[M+K]+ 287.079248 161.1
[M+H-H2O]+ 231.113350 150.9
[M+HCOO]- 293.114291 175.8
[M+CH3COO]- 307.129941 192.1
[M+Na-2H]- 269.090756 161.0
[M]+ 248.11554142 156.5
[M]- 248.11663858 156.5
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

patents stripe