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]+ 216.124376 146.9
[M+Na]+ 238.106318 154.9
[M-H]- 214.109824 152.6
[M+NH4]+ 233.150923 163.8
[M+K]+ 254.080258 152.9
[M+H-H2O]+ 198.114360 136.6
[M+HCOO]- 260.115301 173.3
[M+CH3COO]- 274.130951 196.5
[M+Na-2H]- 236.091766 154.0
[M]+ 215.11655142 148.6
[M]- 215.11764858 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.