CID 18752863

289483-85-8

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1=C2C(=CNC2=C(C=C1)NC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C15H18N2O3/c1-9-5-6-11(17-14(19)20-15(2,3)4)13-12(9)10(8-18)7-16-13/h5-8,16H,1-4H3,(H,17,19)
InChIKey
MZPMRRAPFVVVDI-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

274.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 164.0
[M+Na]+ 297.120958 173.2
[M-H]- 273.124464 166.9
[M+NH4]+ 292.165563 181.6
[M+K]+ 313.094898 169.6
[M+H-H2O]+ 257.129000 158.0
[M+HCOO]- 319.129941 185.3
[M+CH3COO]- 333.145591 198.8
[M+Na-2H]- 295.106406 168.4
[M]+ 274.13119142 167.7
[M]- 274.13228858 167.7
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