CID 37770

37519-65-6

Structural Information

Molecular Formula
C21H27N3O4
SMILES
COC1=CC=CC=C1OCCN=C(N)N2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C21H27N3O4/c1-25-17-6-4-5-7-18(17)28-11-9-23-21(22)24-10-8-15-12-19(26-2)20(27-3)13-16(15)14-24/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23)
InChIKey
FOFOIHRXOXJRCM-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 192.7
[M+Na]+ 408.18938 197.3
[M-H]- 384.19288 198.8
[M+NH4]+ 403.23398 203.5
[M+K]+ 424.16332 194.5
[M+H-H2O]+ 368.19742 182.0
[M+HCOO]- 430.19836 212.9
[M+CH3COO]- 444.21401 227.8
[M+Na-2H]- 406.17483 194.9
[M]+ 385.19961 195.6
[M]- 385.20071 195.6
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.