CID 210891

Af53

Structural Information

Molecular Formula
C14H17ClN6
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)CCl
InChI
InChI=1S/C14H17ClN6/c15-10-12-17-13(16)19-14(18-12)21-8-6-20(7-9-21)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18,19)
InChIKey
ZTXSLFCZKMDZQI-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12761 170.5
[M+Na]+ 327.10955 185.7
[M+NH4]+ 322.15415 177.4
[M+K]+ 343.08349 177.8
[M-H]- 303.11305 174.7
[M+Na-2H]- 325.09500 179.7
[M]+ 304.11978 174.0
[M]- 304.12088 174.0
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.