CID 14657

Guanidine, 1,1-diphenyl-, 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

26663
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.