CID 210891

S-triazine, 2-amino-4-(chloromethyl)-6-(4-phenyl-1-piperazinyl)-

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 172.5
[M+Na]+ 327.10955 179.9
[M-H]- 303.11305 173.9
[M+NH4]+ 322.15415 180.2
[M+K]+ 343.08349 172.4
[M+H-H2O]+ 287.11759 159.9
[M+HCOO]- 349.11853 182.4
[M+CH3COO]- 363.13418 180.6
[M+Na-2H]- 325.09500 176.7
[M]+ 304.11978 168.5
[M]- 304.12088 168.5
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.