CID 3041508

54183-98-1

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CN)C
InChI
InChI=1S/C19H21N3O2/c1-19(2)15-6-4-3-5-14(15)17(22-18(19)24)12-7-9-13(10-8-12)21-16(23)11-20/h3-10,17H,11,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
VRYVDCLHZOXSKE-UHFFFAOYSA-N
Compound name
2-amino-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

0
Patents

323.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 177.3
[M+Na]+ 346.15262 189.2
[M+NH4]+ 341.19722 185.6
[M+K]+ 362.12656 180.5
[M-H]- 322.15612 181.5
[M+Na-2H]- 344.13807 184.5
[M]+ 323.16285 180.1
[M]- 323.16395 180.1
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

No patent data available for this compound.