CID 7539

1,2,3-triphenylguanidine

Structural Information

Molecular Formula
C19H17N3
SMILES
C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
InChIKey
FUPAJKKAHDLPAZ-UHFFFAOYSA-N
Compound name
1,2,3-triphenylguanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

4796
Patents

287.14224 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 165.5
[M+Na]+ 310.13146 169.3
[M-H]- 286.13496 175.6
[M+NH4]+ 305.17606 179.7
[M+K]+ 326.10540 164.2
[M+H-H2O]+ 270.13950 155.5
[M+HCOO]- 332.14044 193.2
[M+CH3COO]- 346.15609 176.5
[M+Na-2H]- 308.11691 174.2
[M]+ 287.14169 161.9
[M]- 287.14279 161.9
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