CID 3058050

74417-10-0

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
CC(C)OC1=NC(=CN=N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H12ClN3O/c1-8(2)17-12-15-11(7-14-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3
InChIKey
NYKQPXACEGNVRA-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-propan-2-yloxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07418 152.7
[M+Na]+ 272.05612 162.4
[M-H]- 248.05962 155.3
[M+NH4]+ 267.10072 166.6
[M+K]+ 288.03006 157.6
[M+H-H2O]+ 232.06416 143.5
[M+HCOO]- 294.06510 168.1
[M+CH3COO]- 308.08075 193.1
[M+Na-2H]- 270.04157 158.9
[M]+ 249.06635 156.0
[M]- 249.06745 156.0
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

No patent data available for this compound.