CID 759769

(1-((3-methyl-1-phenyl-1h-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide

Structural Information

Molecular Formula
C15H16N6
SMILES
CC1=NN(C(=N1)CN2CCCC2=NC#N)C3=CC=CC=C3
InChI
InChI=1S/C15H16N6/c1-12-18-15(10-20-9-5-8-14(20)17-11-16)21(19-12)13-6-3-2-4-7-13/h2-4,6-7H,5,8-10H2,1H3
InChIKey
RJNRCAWWBCOWIY-UHFFFAOYSA-N
Compound name
[1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

280.14365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15093 168.1
[M+Na]+ 303.13287 179.6
[M+NH4]+ 298.17747 171.4
[M+K]+ 319.10681 172.8
[M-H]- 279.13637 164.1
[M+Na-2H]- 301.11832 172.6
[M]+ 280.14310 167.6
[M]- 280.14420 167.6
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

No patent data available for this compound.