CID 13323

(3,3-diphenylpropoxy)guanidine nitrate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 165.4
[M+Na]+ 292.14202 175.8
[M+NH4]+ 287.18662 173.0
[M+K]+ 308.11596 169.0
[M-H]- 268.14552 171.1
[M+Na-2H]- 290.12747 173.8
[M]+ 269.15225 168.2
[M]- 269.15335 168.2
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