CID 39724

Di-p-phenethylguanidine

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCC)N
InChI
InChI=1S/C17H21N3O2/c1-3-21-15-9-5-13(6-10-15)19-17(18)20-14-7-11-16(12-8-14)22-4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
InChIKey
SKTJISGGWXVVBE-UHFFFAOYSA-N
Compound name
1,2-bis(4-ethoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.1634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 170.9
[M+Na]+ 322.15262 175.8
[M-H]- 298.15612 178.1
[M+NH4]+ 317.19722 185.4
[M+K]+ 338.12656 172.8
[M+H-H2O]+ 282.16066 161.6
[M+HCOO]- 344.16160 197.8
[M+CH3COO]- 358.17725 213.1
[M+Na-2H]- 320.13807 175.3
[M]+ 299.16285 171.8
[M]- 299.16395 171.8
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

patents stripe