CID 52534

Guanidine, (2-benzhydryloxyethyl)-

Structural Information

Molecular Formula
C16H19N3O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN=C(N)N
InChI
InChI=1S/C16H19N3O/c17-16(18)19-11-12-20-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H4,17,18,19)
InChIKey
AEPDQNDBDKHWHD-UHFFFAOYSA-N
Compound name
2-(2-benzhydryloxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.1528 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 163.2
[M+Na]+ 292.14202 166.5
[M-H]- 268.14552 169.4
[M+NH4]+ 287.18662 178.0
[M+K]+ 308.11596 163.2
[M+H-H2O]+ 252.15006 154.2
[M+HCOO]- 314.15100 188.6
[M+CH3COO]- 328.16665 206.6
[M+Na-2H]- 290.12747 167.4
[M]+ 269.15225 160.1
[M]- 269.15335 160.1
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