CID 371072

Nsc645015

Structural Information

Molecular Formula
C16H23N3O3
SMILES
CC(=NNC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC)C
InChI
InChI=1S/C16H23N3O3/c1-10(2)18-19-16(20)9-13-12-8-15(22-4)14(21-3)7-11(12)5-6-17-13/h7-8,13,17H,5-6,9H2,1-4H3,(H,19,20)
InChIKey
JDJNILZVYKNYDI-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17395 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 172.1
[M+Na]+ 328.16317 176.7
[M-H]- 304.16667 174.4
[M+NH4]+ 323.20777 186.2
[M+K]+ 344.13711 174.3
[M+H-H2O]+ 288.17121 163.9
[M+HCOO]- 350.17215 190.9
[M+CH3COO]- 364.18780 211.9
[M+Na-2H]- 326.14862 174.4
[M]+ 305.17340 172.1
[M]- 305.17450 172.1
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.