CID 3074553

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

Structural Information

Molecular Formula
C14H14N6
SMILES
C1CC(=NC#N)N(C1)CC2=NC=NN2C3=CC=CC=C3
InChI
InChI=1S/C14H14N6/c15-10-16-13-7-4-8-19(13)9-14-17-11-18-20(14)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-9H2
InChIKey
CIWIVNUSRREKAV-UHFFFAOYSA-N
Compound name
[1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.128 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13528 157.0
[M+Na]+ 289.11722 165.6
[M-H]- 265.12072 159.8
[M+NH4]+ 284.16182 169.0
[M+K]+ 305.09116 160.0
[M+H-H2O]+ 249.12526 138.1
[M+HCOO]- 311.12620 174.4
[M+CH3COO]- 325.14185 166.1
[M+Na-2H]- 287.10267 158.7
[M]+ 266.12745 149.8
[M]- 266.12855 149.8
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.