CID 3088758

Benzamide, 2-(3-((cyclohexylmethyl)amino)propoxy)-n-1h-indol-4-yl-, hydrochloride

Structural Information

Molecular Formula
C25H31N3O2
SMILES
C1CCC(CC1)CNCCCOC2=CC=CC=C2C(=O)NC3=CC=CC4=C3C=CN4
InChI
InChI=1S/C25H31N3O2/c29-25(28-23-12-6-11-22-20(23)14-16-27-22)21-10-4-5-13-24(21)30-17-7-15-26-18-19-8-2-1-3-9-19/h4-6,10-14,16,19,26-27H,1-3,7-9,15,17-18H2,(H,28,29)
InChIKey
QRQMIRTVBKEMNZ-UHFFFAOYSA-N
Compound name
2-[3-(cyclohexylmethylamino)propoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.24164 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 195.4
[M+Na]+ 428.23086 196.8
[M-H]- 404.23436 201.7
[M+NH4]+ 423.27546 205.2
[M+K]+ 444.20480 190.1
[M+H-H2O]+ 388.23890 184.7
[M+HCOO]- 450.23984 213.8
[M+CH3COO]- 464.25549 202.4
[M+Na-2H]- 426.21631 197.0
[M]+ 405.24109 191.8
[M]- 405.24219 191.8
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

patents stripe