CID 201821

Brn 0629158

Structural Information

Molecular Formula
C16H21ClN6O
SMILES
COC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H21ClN6O/c1-24-16-20-14(19-15(18)21-16)6-7-22-8-10-23(11-9-22)13-5-3-2-4-12(13)17/h2-5H,6-11H2,1H3,(H2,18,19,20,21)
InChIKey
ALXHYDQPKOQEHT-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.14655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15383 184.5
[M+Na]+ 371.13577 191.8
[M-H]- 347.13927 186.1
[M+NH4]+ 366.18037 190.6
[M+K]+ 387.10971 184.5
[M+H-H2O]+ 331.14381 171.6
[M+HCOO]- 393.14475 193.9
[M+CH3COO]- 407.16040 191.9
[M+Na-2H]- 369.12122 187.0
[M]+ 348.14600 182.9
[M]- 348.14710 182.9
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