CID 9556273

Nsc683906

Structural Information

Molecular Formula
C16H15N3S
SMILES
CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3C(=C2)C
InChI
InChI=1S/C16H15N3S/c1-11-7-8-20-15(11)10-17-19-16-9-12(2)13-5-3-4-6-14(13)18-16/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKey
OYLMZCNRGXPYJP-LICLKQGHSA-N
Compound name
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

281.09866 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10594 162.3
[M+Na]+ 304.08788 173.1
[M-H]- 280.09138 171.1
[M+NH4]+ 299.13248 181.1
[M+K]+ 320.06182 167.1
[M+H-H2O]+ 264.09592 154.4
[M+HCOO]- 326.09686 185.6
[M+CH3COO]- 340.11251 175.7
[M+Na-2H]- 302.07333 167.4
[M]+ 281.09811 167.0
[M]- 281.09921 167.0
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.