CID 201956

Brn 0633099

Structural Information

Molecular Formula
C22H26ClN7
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C22H26ClN7/c1-16-2-8-19(9-3-16)30-14-12-29(13-15-30)11-10-20-26-21(24)28-22(27-20)25-18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3,(H3,24,25,26,27,28)
InChIKey
DWQZFQFABADWHV-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-6-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19382 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20110 205.4
[M+Na]+ 446.18304 211.5
[M-H]- 422.18654 209.8
[M+NH4]+ 441.22764 207.8
[M+K]+ 462.15698 201.6
[M+H-H2O]+ 406.19108 190.7
[M+HCOO]- 468.19202 214.8
[M+CH3COO]- 482.20767 211.0
[M+Na-2H]- 444.16849 207.4
[M]+ 423.19327 201.9
[M]- 423.19437 201.9
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

No patent data available for this compound.