CID 3042804

Guanidine, 1-benzyl-2-cyano-3-(3-pyridyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

251.1171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.124376 161.8
[M+Na]+ 274.106318 168.3
[M-H]- 250.109824 165.8
[M+NH4]+ 269.150923 174.5
[M+K]+ 290.080258 163.6
[M+H-H2O]+ 234.114360 145.5
[M+HCOO]- 296.115301 183.8
[M+CH3COO]- 310.130951 211.5
[M+Na-2H]- 272.091766 168.8
[M]+ 251.11655142 154.0
[M]- 251.11764858 154.0
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