CID 45479

63937-36-0

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN1CCC2=C(C1CCC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)OC
InChI
InChI=1S/C19H22N2O3/c1-20-12-11-15-13-17(24-2)8-9-18(15)19(20)10-5-14-3-6-16(7-4-14)21(22)23/h3-4,6-9,13,19H,5,10-12H2,1-2H3
InChIKey
SIPXVTDBUYGIKR-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 176.5
[M+Na]+ 349.15228 191.8
[M+NH4]+ 344.19688 184.9
[M+K]+ 365.12622 185.8
[M-H]- 325.15578 182.6
[M+Na-2H]- 347.13773 183.6
[M]+ 326.16251 180.4
[M]- 326.16361 180.4
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.