CID 3063001

99633-78-0

Structural Information

Molecular Formula
C23H30N4O
SMILES
CC1CN(CCN1C2=CC=CC3=C2CN(CC3C4=CC=CC=C4)C)CC(=O)N
InChI
InChI=1S/C23H30N4O/c1-17-13-26(16-23(24)28)11-12-27(17)22-10-6-9-19-20(14-25(2)15-21(19)22)18-7-4-3-5-8-18/h3-10,17,20H,11-16H2,1-2H3,(H2,24,28)
InChIKey
NCYGJNJWEQQKCO-UHFFFAOYSA-N
Compound name
2-[3-methyl-4-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.24197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24925 197.7
[M+Na]+ 401.23119 201.4
[M-H]- 377.23469 202.1
[M+NH4]+ 396.27579 205.2
[M+K]+ 417.20513 194.5
[M+H-H2O]+ 361.23923 185.2
[M+HCOO]- 423.24017 208.2
[M+CH3COO]- 437.25582 203.9
[M+Na-2H]- 399.21664 196.1
[M]+ 378.24142 190.5
[M]- 378.24252 190.5
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.