CID 14612169

1-(4-methoxyphenyl)-4-phenyl-1h-1,2,3-triazol-5-amine

Structural Information

Molecular Formula
C15H14N4O
SMILES
COC1=CC=C(C=C1)N2C(=C(N=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C15H14N4O/c1-20-13-9-7-12(8-10-13)19-15(16)14(17-18-19)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKey
CDSBFQALDZZECV-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-phenyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.11676 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 160.2
[M+Na]+ 289.10598 169.5
[M-H]- 265.10948 166.4
[M+NH4]+ 284.15058 173.7
[M+K]+ 305.07992 164.2
[M+H-H2O]+ 249.11402 149.8
[M+HCOO]- 311.11496 183.0
[M+CH3COO]- 325.13061 172.1
[M+Na-2H]- 287.09143 164.8
[M]+ 266.11621 160.2
[M]- 266.11731 160.2
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