CID 514273

3-cyclopentyl-1-methyl-2-oxazol-5-yl-indole-6-carboxylic acid

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN=CO3)C4CCCC4
InChI
InChI=1S/C18H18N2O3/c1-20-14-8-12(18(21)22)6-7-13(14)16(11-4-2-3-5-11)17(20)15-9-19-10-23-15/h6-11H,2-5H2,1H3,(H,21,22)
InChIKey
BVTBWYPROFRAGD-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 170.4
[M+Na]+ 333.12096 179.3
[M-H]- 309.12446 179.6
[M+NH4]+ 328.16556 186.8
[M+K]+ 349.09490 176.3
[M+H-H2O]+ 293.12900 163.9
[M+HCOO]- 355.12994 190.4
[M+CH3COO]- 369.14559 182.6
[M+Na-2H]- 331.10641 168.3
[M]+ 310.13119 172.8
[M]- 310.13229 172.8
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.