CID 510121

1-(2-azidoethyl)-4,7-dimethoxy-indole

Structural Information

Molecular Formula
C12H14N4O2
SMILES
COC1=C2C=CN(C2=C(C=C1)OC)CCN=[N+]=[N-]
InChI
InChI=1S/C12H14N4O2/c1-17-10-3-4-11(18-2)12-9(10)5-7-16(12)8-6-14-15-13/h3-5,7H,6,8H2,1-2H3
InChIKey
ARODFHHVVKSAPH-UHFFFAOYSA-N
Compound name
1-(2-azidoethyl)-4,7-dimethoxyindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.11168 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 152.1
[M+Na]+ 269.10090 161.2
[M-H]- 245.10440 158.7
[M+NH4]+ 264.14550 171.5
[M+K]+ 285.07484 154.4
[M+H-H2O]+ 229.10894 148.6
[M+HCOO]- 291.10988 183.5
[M+CH3COO]- 305.12553 197.8
[M+Na-2H]- 267.08635 162.5
[M]+ 246.11113 156.2
[M]- 246.11223 156.2
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

No patent data available for this compound.