CID 3075008

171011-12-4

Structural Information

Molecular Formula
C18H21N3O
SMILES
CC1=CC=C(C=C1)N=C(C2=C(N=C3CCCCC3=C2)OC)N
InChI
InChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-17(19)15-11-13-5-3-4-6-16(13)21-18(15)22-2/h7-11H,3-6H2,1-2H3,(H2,19,20)
InChIKey
KYYQGFLOKXWBND-UHFFFAOYSA-N
Compound name
2-methoxy-N'-(4-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 170.2
[M+Na]+ 318.15768 175.9
[M-H]- 294.16118 176.7
[M+NH4]+ 313.20228 184.9
[M+K]+ 334.13162 171.5
[M+H-H2O]+ 278.16572 160.6
[M+HCOO]- 340.16666 191.1
[M+CH3COO]- 354.18231 211.7
[M+Na-2H]- 316.14313 174.4
[M]+ 295.16791 167.7
[M]- 295.16901 167.7
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.