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 161.6
[M+Na]+ 303.13287 170.6
[M-H]- 279.13637 164.6
[M+NH4]+ 298.17747 173.4
[M+K]+ 319.10681 164.7
[M+H-H2O]+ 263.14091 142.8
[M+HCOO]- 325.14185 178.6
[M+CH3COO]- 339.15750 170.6
[M+Na-2H]- 301.11832 162.1
[M]+ 280.14310 155.0
[M]- 280.14420 155.0
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

No patent data available for this compound.