CID 27282353

731810-57-4

Structural Information

Molecular Formula
C16H18N2O5
SMILES
CC(C)(C)OC(=O)NC1=CC(=C2C(=C1)NC=C2C=O)C(=O)OC
InChI
InChI=1S/C16H18N2O5/c1-16(2,3)23-15(21)18-10-5-11(14(20)22-4)13-9(8-19)7-17-12(13)6-10/h5-8,17H,1-4H3,(H,18,21)
InChIKey
RJOLGXRDBFYRMF-UHFFFAOYSA-N
Compound name
methyl 3-formyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

318.12158 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 172.7
[M+Na]+ 341.11080 181.0
[M-H]- 317.11430 175.6
[M+NH4]+ 336.15540 188.1
[M+K]+ 357.08474 178.6
[M+H-H2O]+ 301.11884 166.4
[M+HCOO]- 363.11978 193.2
[M+CH3COO]- 377.13543 205.6
[M+Na-2H]- 339.09625 175.9
[M]+ 318.12103 178.2
[M]- 318.12213 178.2
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