CID 3075943

1h-indole-4-carboxamide, n-(2-(3-((1,1-dimethylpropyl)amino)propoxy)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCC(C)(C)NCCCOC1=CC=CC=C1NC(=O)C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C23H29N3O2/c1-4-23(2,3)25-14-8-16-28-21-12-6-5-10-20(21)26-22(27)18-9-7-11-19-17(18)13-15-24-19/h5-7,9-13,15,24-25H,4,8,14,16H2,1-3H3,(H,26,27)
InChIKey
IOPNHTLNBBHNLP-UHFFFAOYSA-N
Compound name
N-[2-[3-(2-methylbutan-2-ylamino)propoxy]phenyl]-1H-indole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

379.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 193.7
[M+Na]+ 402.21520 198.3
[M-H]- 378.21870 198.3
[M+NH4]+ 397.25980 205.6
[M+K]+ 418.18914 192.5
[M+H-H2O]+ 362.22324 184.7
[M+HCOO]- 424.22418 214.2
[M+CH3COO]- 438.23983 222.5
[M+Na-2H]- 400.20065 197.6
[M]+ 379.22543 195.9
[M]- 379.22653 195.9
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