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

1
Patents

322.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.4
[M+Na]+ 345.19372 186.1
[M-H]- 321.19722 185.9
[M+NH4]+ 340.23832 194.1
[M+K]+ 361.16766 180.5
[M+H-H2O]+ 305.20176 171.0
[M+HCOO]- 367.20270 198.3
[M+CH3COO]- 381.21835 214.9
[M+Na-2H]- 343.17917 182.2
[M]+ 322.20395 179.1
[M]- 322.20505 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