CID 5474367

Wr 5677

Structural Information

Molecular Formula
C17H18N4
SMILES
C/C(=C\C(=N\N=C(N)N)\C1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C17H18N4/c1-13(14-8-4-2-5-9-14)12-16(20-21-17(18)19)15-10-6-3-7-11-15/h2-12H,1H3,(H4,18,19,21)/b13-12+,20-16-
InChIKey
WKPRTJBTWLBDOQ-OLVUBZDSSA-N
Compound name
2-[(Z)-[(E)-1,3-diphenylbut-2-enylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.15314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16042 167.4
[M+Na]+ 301.14236 170.4
[M-H]- 277.14586 175.0
[M+NH4]+ 296.18696 182.1
[M+K]+ 317.11630 166.7
[M+H-H2O]+ 261.15040 158.0
[M+HCOO]- 323.15134 194.1
[M+CH3COO]- 337.16699 213.0
[M+Na-2H]- 299.12781 170.6
[M]+ 278.15259 162.3
[M]- 278.15369 162.3
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.