CID 22090322

Einecs 274-042-5

Structural Information

Molecular Formula
C17H18N6
SMILES
CN1C=NN=C1N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3
InChI
InChI=1S/C17H18N6/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-21-17-20-18-13-23(17)2/h3-11,13H,12H2,1-2H3
InChIKey
JMZNBWGUUOFHQS-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.1593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.166576 170.9
[M+Na]+ 329.148518 177.9
[M-H]- 305.152024 180.9
[M+NH4]+ 324.193123 184.0
[M+K]+ 345.122458 174.4
[M+H-H2O]+ 289.156560 158.4
[M+HCOO]- 351.157501 199.1
[M+CH3COO]- 365.173151 182.7
[M+Na-2H]- 327.133966 177.7
[M]+ 306.15875142 173.6
[M]- 306.15984858 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe