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]+ 267.135276 157.0
[M+Na]+ 289.117218 165.6
[M-H]- 265.120724 159.8
[M+NH4]+ 284.161823 169.0
[M+K]+ 305.091158 160.0
[M+H-H2O]+ 249.125260 138.1
[M+HCOO]- 311.126201 174.4
[M+CH3COO]- 325.141851 166.1
[M+Na-2H]- 287.102666 158.7
[M]+ 266.12745142 149.8
[M]- 266.12854858 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.