CID 27282351

Methyl 6-n-boc-aminoindole-4-carboxylate

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C2C=CNC2=C1)C(=O)OC
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)17-9-7-11(13(18)20-4)10-5-6-16-12(10)8-9/h5-8,16H,1-4H3,(H,17,19)
InChIKey
RBLKRQUREUXQNK-UHFFFAOYSA-N
Compound name
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

290.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 167.0
[M+Na]+ 313.11587 174.8
[M-H]- 289.11937 169.7
[M+NH4]+ 308.16047 183.5
[M+K]+ 329.08981 172.5
[M+H-H2O]+ 273.12391 160.7
[M+HCOO]- 335.12485 187.5
[M+CH3COO]- 349.14050 199.9
[M+Na-2H]- 311.10132 171.1
[M]+ 290.12610 171.0
[M]- 290.12720 171.0
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