CID 30770

Compound id-955

Structural Information

Molecular Formula
C20H17NO6
SMILES
CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C20H17NO6/c1-11-14(9-19(22)23)15-8-13(25-2)4-5-16(15)21(11)20(24)12-3-6-17-18(7-12)27-10-26-17/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKey
SRAJRUYJYFSKSZ-UHFFFAOYSA-N
Compound name
2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

367.1056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11288 183.5
[M+Na]+ 390.09482 193.2
[M-H]- 366.09832 192.3
[M+NH4]+ 385.13942 196.9
[M+K]+ 406.06876 192.0
[M+H-H2O]+ 350.10286 177.6
[M+HCOO]- 412.10380 201.5
[M+CH3COO]- 426.11945 214.6
[M+Na-2H]- 388.08027 184.1
[M]+ 367.10505 191.6
[M]- 367.10615 191.6
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

patents stripe