CID 3041269

Brn 0629697

Structural Information

Molecular Formula
C18H18ClN5O
SMILES
C1=CC=C(C=C1)CCNC2=NC(=NC(=N2)N)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN5O/c19-14-6-8-15(9-7-14)25-12-16-22-17(20)24-18(23-16)21-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,20,21,22,23,24)
InChIKey
TVTSSGHJADIWJU-UHFFFAOYSA-N
Compound name
6-[(4-chlorophenoxy)methyl]-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12728 184.2
[M+Na]+ 378.10922 200.1
[M+NH4]+ 373.15382 191.2
[M+K]+ 394.08316 190.9
[M-H]- 354.11272 190.4
[M+Na-2H]- 376.09467 195.2
[M]+ 355.11945 188.5
[M]- 355.12055 188.5
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.