CID 42991

59263-66-0

Structural Information

Molecular Formula
C20H26N4S
SMILES
CC1=CC(=C(C=C1)N=CN(C)SN(C)C=NC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C20H26N4S/c1-15-7-9-19(17(3)11-15)21-13-23(5)25-24(6)14-22-20-10-8-16(2)12-18(20)4/h7-14H,1-6H3
InChIKey
GHNUBEGHGNEWIT-UHFFFAOYSA-N
Compound name
N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanyl-N-methylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.1878 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19508 188.7
[M+Na]+ 377.17702 200.6
[M+NH4]+ 372.22162 197.1
[M+K]+ 393.15096 190.0
[M-H]- 353.18052 196.9
[M+Na-2H]- 375.16247 197.5
[M]+ 354.18725 193.2
[M]- 354.18835 193.2
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

patents stripe