CID 5338634

(4-dimethylamino-benzylidene)-[1,2,4]triazol-4-yl-amine

Structural Information

Molecular Formula
C11H13N5
SMILES
CN(C)C1=CC=C(C=C1)/C=N/N2C=NN=C2
InChI
InChI=1S/C11H13N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-9H,1-2H3/b14-7+
InChIKey
YDHQRSFAZYRBTA-VGOFMYFVSA-N
Compound name
N,N-dimethyl-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

215.1171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 146.9
[M+Na]+ 238.10632 154.9
[M-H]- 214.10982 152.6
[M+NH4]+ 233.15092 163.8
[M+K]+ 254.08026 152.9
[M+H-H2O]+ 198.11436 136.6
[M+HCOO]- 260.11530 173.3
[M+CH3COO]- 274.13095 196.5
[M+Na-2H]- 236.09177 154.0
[M]+ 215.11655 148.6
[M]- 215.11765 148.6
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.