CID 14014923

92928-33-1

Structural Information

Molecular Formula
C18H17N5S
SMILES
C1=CC=C2C(=C1)C(=NNC3=NC=CS3)C4=CC=CC=C4N2CCN
InChI
InChI=1S/C18H17N5S/c19-9-11-23-15-7-3-1-5-13(15)17(14-6-2-4-8-16(14)23)21-22-18-20-10-12-24-18/h1-8,10,12H,9,11,19H2,(H,20,22)
InChIKey
PDCZLGRLJMNOAL-UHFFFAOYSA-N
Compound name
N-[[10-(2-aminoethyl)acridin-9-ylidene]amino]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12773 171.2
[M+Na]+ 358.10967 181.7
[M-H]- 334.11317 178.8
[M+NH4]+ 353.15427 186.7
[M+K]+ 374.08361 174.2
[M+H-H2O]+ 318.11771 162.3
[M+HCOO]- 380.11865 192.8
[M+CH3COO]- 394.13430 182.9
[M+Na-2H]- 356.09512 179.0
[M]+ 335.11990 174.6
[M]- 335.12100 174.6
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

patents stripe