CID 3075935

2-(3-(bis(1-methylethyl)amino)-2-hydroxypropoxy-n-1h-indol-4-yl)benzamide

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]+ 410.24382 201.7
[M+Na]+ 432.22576 203.8
[M-H]- 408.22926 206.2
[M+NH4]+ 427.27036 211.7
[M+K]+ 448.19970 200.6
[M+H-H2O]+ 392.23380 192.5
[M+HCOO]- 454.23474 219.6
[M+CH3COO]- 468.25039 230.7
[M+Na-2H]- 430.21121 199.7
[M]+ 409.23599 203.7
[M]- 409.23709 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