CID 3048893

Brn 0444458

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCN(CC)CC(=O)NC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C21H25N3O2/c1-3-24(4-2)14-20(26)22-18-12-8-7-11-17(18)21-16-10-6-5-9-15(16)13-19(25)23-21/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKey
CGBZWHSIRCLGFW-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[2-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 185.0
[M+Na]+ 374.18389 188.6
[M-H]- 350.18739 190.0
[M+NH4]+ 369.22849 196.5
[M+K]+ 390.15783 183.8
[M+H-H2O]+ 334.19193 175.1
[M+HCOO]- 396.19287 203.2
[M+CH3COO]- 410.20852 221.2
[M+Na-2H]- 372.16934 187.2
[M]+ 351.19412 182.7
[M]- 351.19522 182.7
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

No patent data available for this compound.