CID 3053052

As-triazine, 3-(pentyloxy)-5-phenyl-

Structural Information

Molecular Formula
C14H17N3O
SMILES
CCCCCOC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O/c1-2-3-7-10-18-14-16-13(11-15-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKey
GBWOVXNOZNKGDR-UHFFFAOYSA-N
Compound name
3-pentoxy-5-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.13716 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.9
[M+Na]+ 266.12638 164.4
[M-H]- 242.12988 158.9
[M+NH4]+ 261.17098 169.9
[M+K]+ 282.10032 160.2
[M+H-H2O]+ 226.13442 146.6
[M+HCOO]- 288.13536 177.3
[M+CH3COO]- 302.15101 193.3
[M+Na-2H]- 264.11183 164.3
[M]+ 243.13661 159.1
[M]- 243.13771 159.1
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