CID 297126

Nsc167889

Structural Information

Molecular Formula
C23H20N4S
SMILES
CC1=C(N=C(S1)N=C(NC2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4S/c1-17-21(18-11-5-2-6-12-18)26-23(28-17)27-22(24-19-13-7-3-8-14-19)25-20-15-9-4-10-16-20/h2-16H,1H3,(H2,24,25,26,27)
InChIKey
YDSPRFVSGNDLGT-UHFFFAOYSA-N
Compound name
2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-diphenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.14087 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14815 189.4
[M+Na]+ 407.13009 195.4
[M-H]- 383.13359 202.1
[M+NH4]+ 402.17469 201.2
[M+K]+ 423.10403 188.0
[M+H-H2O]+ 367.13813 178.8
[M+HCOO]- 429.13907 211.7
[M+CH3COO]- 443.15472 199.4
[M+Na-2H]- 405.11554 192.6
[M]+ 384.14032 189.3
[M]- 384.14142 189.3
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

No patent data available for this compound.