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]+ 252.08981 155.8
[M+Na]+ 274.07175 164.4
[M-H]- 250.07525 157.7
[M+NH4]+ 269.11635 174.1
[M+K]+ 290.04569 158.7
[M+H-H2O]+ 234.07979 149.8
[M+HCOO]- 296.08073 173.9
[M+CH3COO]- 310.09638 195.2
[M+Na-2H]- 272.05720 159.0
[M]+ 251.08198 156.3
[M]- 251.08308 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.