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 183.9
[M-H]- 322.15612 181.7
[M+NH4]+ 341.19722 191.7
[M+K]+ 362.12656 178.3
[M+H-H2O]+ 306.16066 168.9
[M+HCOO]- 368.16160 195.2
[M+CH3COO]- 382.17725 212.4
[M+Na-2H]- 344.13807 180.7
[M]+ 323.16285 173.2
[M]- 323.16395 173.2
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

No patent data available for this compound.