CID 52642

73839-60-8

Structural Information

Molecular Formula
C23H25N3S
SMILES
CC1=CC(=C(C=C1)N=CNSN(CC2=CC=CC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C23H25N3S/c1-19-13-14-23(20(2)15-19)24-18-25-27-26(16-21-9-5-3-6-10-21)17-22-11-7-4-8-12-22/h3-15,18H,16-17H2,1-2H3,(H,24,25)
InChIKey
LGPFRUMCKJANNU-UHFFFAOYSA-N
Compound name
N-(dibenzylamino)sulfanyl-N'-(2,4-dimethylphenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1769 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18418 191.4
[M+Na]+ 398.16612 205.5
[M+NH4]+ 393.21072 200.7
[M+K]+ 414.14006 192.9
[M-H]- 374.16962 201.5
[M+Na-2H]- 396.15157 203.7
[M]+ 375.17635 196.9
[M]- 375.17745 196.9
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.