CID 14657

1,1-diphenylguanidine nitrate

Structural Information

Molecular Formula
C13H13N3
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)
InChIKey
MFHNAXHSHOCFEC-UHFFFAOYSA-N
Compound name
1,1-diphenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15567
Patents

211.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 148.8
[M+Na]+ 234.10017 160.6
[M+NH4]+ 229.14477 157.7
[M+K]+ 250.07411 153.7
[M-H]- 210.10367 155.3
[M+Na-2H]- 232.08562 159.0
[M]+ 211.11040 152.1
[M]- 211.11150 152.1
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