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 190.5
[M+Na]+ 398.16612 195.1
[M-H]- 374.16962 201.8
[M+NH4]+ 393.21072 203.0
[M+K]+ 414.14006 188.9
[M+H-H2O]+ 358.17416 179.6
[M+HCOO]- 420.17510 213.1
[M+CH3COO]- 434.19075 229.6
[M+Na-2H]- 396.15157 193.7
[M]+ 375.17635 193.1
[M]- 375.17745 193.1
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.