CID 9594936

Akos000647404

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=NC2=CC=CC=C2C(=C1)N/N=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H21N3O3/c1-13-9-17(15-7-5-6-8-16(15)22-13)23-21-12-14-10-18(24-2)20(26-4)19(11-14)25-3/h5-12H,1-4H3,(H,22,23)/b21-12+
InChIKey
MMDRJXPEOAWMAA-CIAFOILYSA-N
Compound name
2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.9
[M+Na]+ 374.14752 192.4
[M-H]- 350.15102 191.9
[M+NH4]+ 369.19212 197.0
[M+K]+ 390.12146 188.5
[M+H-H2O]+ 334.15556 173.4
[M+HCOO]- 396.15650 208.8
[M+CH3COO]- 410.17215 223.4
[M+Na-2H]- 372.13297 189.7
[M]+ 351.15775 190.0
[M]- 351.15885 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.