CID 516731

Rwj-49815

Structural Information

Molecular Formula
C30H31N3O
SMILES
C1=CC=C(C=C1)C(CCOC2=CC=C(C=C2)CCN=C(N)N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H31N3O/c31-29(32)33-22-20-24-16-18-28(19-17-24)34-23-21-30(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19H,20-23H2,(H4,31,32,33)
InChIKey
AJKCPFPHDCULCG-UHFFFAOYSA-N
Compound name
2-[2-[4-(3,3,3-triphenylpropoxy)phenyl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

449.2467 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.25398 211.0
[M+Na]+ 472.23592 212.0
[M-H]- 448.23942 221.8
[M+NH4]+ 467.28052 217.3
[M+K]+ 488.20986 205.0
[M+H-H2O]+ 432.24396 198.6
[M+HCOO]- 494.24490 233.0
[M+CH3COO]- 508.26055 240.5
[M+Na-2H]- 470.22137 214.6
[M]+ 449.24615 207.6
[M]- 449.24725 207.6
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