CID 3075935

129323-06-4

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CC(C)N(CC(COC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3)O)C(C)C
InChI
InChI=1S/C24H31N3O3/c1-16(2)27(17(3)4)14-18(28)15-30-23-11-6-5-8-20(23)24(29)26-22-10-7-9-21-19(22)12-13-25-21/h5-13,16-18,25,28H,14-15H2,1-4H3,(H,26,29)
InChIKey
IHXBWVPMNINNLK-UHFFFAOYSA-N
Compound name
2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

409.23654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.243816 201.7
[M+Na]+ 432.225758 203.8
[M-H]- 408.229264 206.2
[M+NH4]+ 427.270363 211.7
[M+K]+ 448.199698 200.6
[M+H-H2O]+ 392.233800 192.5
[M+HCOO]- 454.234741 219.6
[M+CH3COO]- 468.250391 230.7
[M+Na-2H]- 430.211206 199.7
[M]+ 409.23599142 203.7
[M]- 409.23708858 203.7
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