CID 43356

60560-41-0

Structural Information

Molecular Formula
C14H13N5
SMILES
C1=CC=C(C=C1)CN=C(NC#N)NC2=CC=NC=C2
InChI
InChI=1S/C14H13N5/c15-11-18-14(19-13-6-8-16-9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17,18,19)
InChIKey
HKCIAYNSNFLSIC-UHFFFAOYSA-N
Compound name
2-benzyl-1-cyano-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

251.1171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 167.3
[M+Na]+ 274.10632 178.4
[M+NH4]+ 269.15092 171.4
[M+K]+ 290.08026 167.4
[M-H]- 250.10982 165.0
[M+Na-2H]- 272.09177 173.4
[M]+ 251.11655 167.2
[M]- 251.11765 167.2
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