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

30
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.8
[M+Na]+ 271.10531 163.9
[M-H]- 247.10881 158.8
[M+NH4]+ 266.14991 174.9
[M+K]+ 287.07925 161.1
[M+H-H2O]+ 231.11335 150.9
[M+HCOO]- 293.11429 175.8
[M+CH3COO]- 307.12994 192.1
[M+Na-2H]- 269.09076 161.0
[M]+ 248.11554 156.5
[M]- 248.11664 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