CID 3041432

54087-51-3

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCN(CC)CC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3C(C(=O)N2)(C)C
InChI
InChI=1S/C23H29N3O2/c1-5-26(6-2)15-20(27)24-17-13-11-16(12-14-17)21-18-9-7-8-10-19(18)23(3,4)22(28)25-21/h7-14,21H,5-6,15H2,1-4H3,(H,24,27)(H,25,28)
InChIKey
TWPRYSGEVCQCJL-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

379.22598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 194.3
[M+Na]+ 402.21520 205.8
[M+NH4]+ 397.25980 202.2
[M+K]+ 418.18914 196.4
[M-H]- 378.21870 198.8
[M+Na-2H]- 400.20065 201.2
[M]+ 379.22543 197.2
[M]- 379.22653 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe