CID 3061270

78945-96-7

Structural Information

Molecular Formula
C21H20N2O3
SMILES
COC(=O)C1=C(C2=CC=CC=C2C(=N1)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O3/c1-25-21(24)19-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20(22-19)23-11-13-26-14-12-23/h2-10H,11-14H2,1H3
InChIKey
AUPAJEQQADBCOY-UHFFFAOYSA-N
Compound name
methyl 1-morpholin-4-yl-4-phenylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 183.8
[M+Na]+ 371.136618 189.4
[M-H]- 347.140124 191.2
[M+NH4]+ 366.181223 192.6
[M+K]+ 387.110558 185.5
[M+H-H2O]+ 331.144660 171.9
[M+HCOO]- 393.145601 198.3
[M+CH3COO]- 407.161251 192.7
[M+Na-2H]- 369.122066 187.5
[M]+ 348.14685142 182.2
[M]- 348.14794858 182.2
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.