CID 216598

37481-42-8

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCC1=C(C(=CC=C1)CC)C(=O)NC2=CC=CC3=C2CCN(C3)C
InChI
InChI=1S/C21H26N2O/c1-4-15-8-6-9-16(5-2)20(15)21(24)22-19-11-7-10-17-14-23(3)13-12-18(17)19/h6-11H,4-5,12-14H2,1-3H3,(H,22,24)
InChIKey
YBAXILSHGYLEHM-UHFFFAOYSA-N
Compound name
2,6-diethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 180.4
[M+Na]+ 345.193718 186.1
[M-H]- 321.197224 185.9
[M+NH4]+ 340.238323 194.1
[M+K]+ 361.167658 180.5
[M+H-H2O]+ 305.201760 171.0
[M+HCOO]- 367.202701 198.3
[M+CH3COO]- 381.218351 214.9
[M+Na-2H]- 343.179166 182.2
[M]+ 322.20395142 179.1
[M]- 322.20504858 179.1
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