CID 9556277

Nsc683910

Structural Information

Molecular Formula
C17H17N3OS
SMILES
CC1=C(SC=C1)/C=N/NC2=NC3=C(C=CC(=C3)OC)C(=C2)C
InChI
InChI=1S/C17H17N3OS/c1-11-6-7-22-16(11)10-18-20-17-8-12(2)14-5-4-13(21-3)9-15(14)19-17/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKey
LJJUOEXAPQICEI-VCHYOVAHSA-N
Compound name
7-methoxy-4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10922 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 170.8
[M+Na]+ 334.09844 181.7
[M-H]- 310.10194 179.7
[M+NH4]+ 329.14304 188.5
[M+K]+ 350.07238 176.1
[M+H-H2O]+ 294.10648 162.7
[M+HCOO]- 356.10742 193.8
[M+CH3COO]- 370.12307 183.8
[M+Na-2H]- 332.08389 174.7
[M]+ 311.10867 177.6
[M]- 311.10977 177.6
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.