CID 1809

5-carboxamidotryptamine

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
InChI
InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChIKey
WKZLNEWVIAGNAW-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

456
References

825
Patents

203.10587 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.1
[M+Na]+ 226.09509 151.7
[M-H]- 202.09859 144.8
[M+NH4]+ 221.13969 162.2
[M+K]+ 242.06903 147.1
[M+H-H2O]+ 186.10313 136.5
[M+HCOO]- 248.10407 166.5
[M+CH3COO]- 262.11972 187.7
[M+Na-2H]- 224.08054 147.7
[M]+ 203.10532 140.8
[M]- 203.10642 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe