CID 40985

54087-38-6

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C20H23N3O2/c1-2-11-21-13-19(25)22-16-9-7-14(8-10-16)20-17-6-4-3-5-15(17)12-18(24)23-20/h3-10,20-21H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKey
RFKFOPKQXURKAV-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

337.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 179.9
[M+Na]+ 360.16824 183.9
[M-H]- 336.17174 183.7
[M+NH4]+ 355.21284 191.4
[M+K]+ 376.14218 177.9
[M+H-H2O]+ 320.17628 170.4
[M+HCOO]- 382.17722 198.1
[M+CH3COO]- 396.19287 215.0
[M+Na-2H]- 358.15369 183.5
[M]+ 337.17847 176.2
[M]- 337.17957 176.2
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