CID 43439683

N-(5-methyl-1,3-thiazolidin-2-ylidene)quinolin-8-amine

Structural Information

Molecular Formula
C13H13N3S
SMILES
CC1CN=C(S1)NC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C13H13N3S/c1-9-8-15-13(17-9)16-11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9H,8H2,1H3,(H,15,16)
InChIKey
MLZKMAYEVRBDOU-UHFFFAOYSA-N
Compound name
5-methyl-N-quinolin-8-yl-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08302 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09030 151.4
[M+Na]+ 266.07224 160.9
[M-H]- 242.07574 156.9
[M+NH4]+ 261.11684 169.7
[M+K]+ 282.04618 155.7
[M+H-H2O]+ 226.08028 143.7
[M+HCOO]- 288.08122 169.0
[M+CH3COO]- 302.09687 163.9
[M+Na-2H]- 264.05769 155.7
[M]+ 243.08247 152.0
[M]- 243.08357 152.0
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.