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]+ 352.201946 185.0
[M+Na]+ 374.183888 188.6
[M-H]- 350.187394 190.0
[M+NH4]+ 369.228493 196.5
[M+K]+ 390.157828 183.8
[M+H-H2O]+ 334.191930 175.1
[M+HCOO]- 396.192871 203.2
[M+CH3COO]- 410.208521 221.2
[M+Na-2H]- 372.169336 187.2
[M]+ 351.19412142 182.7
[M]- 351.19521858 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.