CID 6932062

158575-73-6

Structural Information

Molecular Formula
C17H15NO4
SMILES
C1[C@@H](N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1
InChIKey
BSOYWTITVKXHLM-OAHLLOKOSA-N
Compound name
(2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

92
Patents

297.1001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.107376 167.4
[M+Na]+ 320.089318 173.9
[M-H]- 296.092824 172.3
[M+NH4]+ 315.133923 182.9
[M+K]+ 336.063258 170.3
[M+H-H2O]+ 280.097360 159.6
[M+HCOO]- 342.098301 186.2
[M+CH3COO]- 356.113951 198.4
[M+Na-2H]- 318.074766 169.2
[M]+ 297.09955142 167.9
[M]- 297.10064858 167.9
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