CID 23116004

205492-91-7

Structural Information

Molecular Formula
C14H15Cl2N5O
SMILES
CC(C)(C)NC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C14H15Cl2N5O/c1-14(2,3)21-10(22)8-4-6-9(7-5-8)17-13-19-11(15)18-12(16)20-13/h4-7H,1-3H3,(H,21,22)(H,17,18,19,20)
InChIKey
HQYXTCOILBTQNS-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

339.06537 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07265 177.1
[M+Na]+ 362.05459 186.0
[M-H]- 338.05809 179.6
[M+NH4]+ 357.09919 187.6
[M+K]+ 378.02853 179.7
[M+H-H2O]+ 322.06263 168.2
[M+HCOO]- 384.06357 187.4
[M+CH3COO]- 398.07922 212.6
[M+Na-2H]- 360.04004 182.3
[M]+ 339.06482 180.0
[M]- 339.06592 180.0
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

patents stripe