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

24788
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 146.3
[M+Na]+ 234.10017 151.0
[M-H]- 210.10367 153.7
[M+NH4]+ 229.14477 163.8
[M+K]+ 250.07411 148.2
[M+H-H2O]+ 194.10821 138.2
[M+HCOO]- 256.10915 173.2
[M+CH3COO]- 270.12480 196.0
[M+Na-2H]- 232.08562 153.1
[M]+ 211.11040 141.8
[M]- 211.11150 141.8
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