CID 165654685

2-amino-3-(6-chloro-1h-indol-3-yl)-n-methylpropanamide

Structural Information

Molecular Formula
C12H14ClN3O
SMILES
CNC(=O)C(CC1=CNC2=C1C=CC(=C2)Cl)N
InChI
InChI=1S/C12H14ClN3O/c1-15-12(17)10(14)4-7-6-16-11-5-8(13)2-3-9(7)11/h2-3,5-6,10,16H,4,14H2,1H3,(H,15,17)
InChIKey
PWQYSULPARFCJC-UHFFFAOYSA-N
Compound name
2-amino-3-(6-chloro-1H-indol-3-yl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08253 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.089806 155.8
[M+Na]+ 274.071748 164.4
[M-H]- 250.075254 157.7
[M+NH4]+ 269.116353 174.1
[M+K]+ 290.045688 158.7
[M+H-H2O]+ 234.079790 149.8
[M+HCOO]- 296.080731 173.9
[M+CH3COO]- 310.096381 195.2
[M+Na-2H]- 272.057196 159.0
[M]+ 251.08198142 156.3
[M]- 251.08307858 156.3
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.