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

26
Patents

274.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.0
[M+Na]+ 297.12096 173.2
[M-H]- 273.12446 166.9
[M+NH4]+ 292.16556 181.6
[M+K]+ 313.09490 169.6
[M+H-H2O]+ 257.12900 158.0
[M+HCOO]- 319.12994 185.3
[M+CH3COO]- 333.14559 198.8
[M+Na-2H]- 295.10641 168.4
[M]+ 274.13119 167.7
[M]- 274.13229 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