CID 9556272

Nsc683905

Structural Information

Molecular Formula
C15H13N3S
SMILES
CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H13N3S/c1-11-8-9-19-14(11)10-16-18-15-7-6-12-4-2-3-5-13(12)17-15/h2-10H,1H3,(H,17,18)/b16-10+
InChIKey
PIKARIPADNTNGU-MHWRWJLKSA-N
Compound name
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.083 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 157.2
[M+Na]+ 290.07222 167.6
[M-H]- 266.07572 165.8
[M+NH4]+ 285.11682 176.3
[M+K]+ 306.04616 161.8
[M+H-H2O]+ 250.08026 149.3
[M+HCOO]- 312.08120 180.8
[M+CH3COO]- 326.09685 170.7
[M+Na-2H]- 288.05767 163.5
[M]+ 267.08245 161.2
[M]- 267.08355 161.2
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.