CID 3634887

23305-68-2

Structural Information

Molecular Formula
C18H17N5S
SMILES
CC1=C(SC(=N1)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3
InChIKey
GIFKVQOPAJDJLO-UHFFFAOYSA-N
Compound name
N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

694
References

642
Patents

335.12045 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12773 177.7
[M+Na]+ 358.10967 184.7
[M-H]- 334.11317 190.5
[M+NH4]+ 353.15427 193.0
[M+K]+ 374.08361 180.0
[M+H-H2O]+ 318.11771 167.1
[M+HCOO]- 380.11865 204.4
[M+CH3COO]- 394.13430 189.7
[M+Na-2H]- 356.09512 182.0
[M]+ 335.11990 180.6
[M]- 335.12100 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe