CID 219018

118702-11-7

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
C[C@@H](CNC(=O)C)C1=CNC2=CC(=C(C=C21)OC)Cl
InChI
InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1
InChIKey
RKHCTAKUYDTFHE-QMMMGPOBSA-N
Compound name
N-[(2R)-2-(6-chloro-5-methoxy-1H-indol-3-yl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

349
Patents

280.09787 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10515 163.5
[M+Na]+ 303.08709 173.0
[M-H]- 279.09059 166.1
[M+NH4]+ 298.13169 181.6
[M+K]+ 319.06103 167.7
[M+H-H2O]+ 263.09513 157.7
[M+HCOO]- 325.09607 180.8
[M+CH3COO]- 339.11172 200.0
[M+Na-2H]- 301.07254 165.7
[M]+ 280.09732 168.2
[M]- 280.09842 168.2
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