CID 9556287

Nsc683920

Structural Information

Molecular Formula
C17H17N3S
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)N/N=C/C3=CC=C(S3)C)C
InChI
InChI=1S/C17H17N3S/c1-11-5-4-6-15-12(2)9-16(19-17(11)15)20-18-10-14-8-7-13(3)21-14/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKey
FBDVYMUXPCSYIP-VCHYOVAHSA-N
Compound name
4,8-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11432 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12160 167.3
[M+Na]+ 318.10354 178.5
[M-H]- 294.10704 176.3
[M+NH4]+ 313.14814 185.8
[M+K]+ 334.07748 172.3
[M+H-H2O]+ 278.11158 159.4
[M+HCOO]- 340.11252 190.1
[M+CH3COO]- 354.12817 180.5
[M+Na-2H]- 316.08899 171.1
[M]+ 295.11377 172.8
[M]- 295.11487 172.8
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.