CID 453411

Ethane deriv.

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC(C)NC1=C(N=CC=C1)OCCOC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C19H21N3O3/c1-13(2)21-16-8-5-9-20-18(16)24-10-11-25-19(23)17-12-14-6-3-4-7-15(14)22-17/h3-9,12-13,21-22H,10-11H2,1-2H3
InChIKey
WEEIDPKVHKWSLA-UHFFFAOYSA-N
Compound name
2-[3-(propan-2-ylamino)pyridin-2-yl]oxyethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 179.5
[M+Na]+ 362.14752 185.9
[M-H]- 338.15102 183.4
[M+NH4]+ 357.19212 191.8
[M+K]+ 378.12146 181.3
[M+H-H2O]+ 322.15556 170.0
[M+HCOO]- 384.15650 199.8
[M+CH3COO]- 398.17215 210.8
[M+Na-2H]- 360.13297 182.9
[M]+ 339.15775 182.8
[M]- 339.15885 182.8
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.