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]+ 349.15468 183.8
[M+Na]+ 371.13662 189.4
[M-H]- 347.14012 191.2
[M+NH4]+ 366.18122 192.6
[M+K]+ 387.11056 185.5
[M+H-H2O]+ 331.14466 171.9
[M+HCOO]- 393.14560 198.3
[M+CH3COO]- 407.16125 192.7
[M+Na-2H]- 369.12207 187.5
[M]+ 348.14685 182.2
[M]- 348.14795 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.