CID 201929

Brn 0591810

Structural Information

Molecular Formula
C21H24ClN7
SMILES
C1CN(CCN1CCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)C4=CC=CC=C4
InChI
InChI=1S/C21H24ClN7/c22-16-6-8-17(9-7-16)24-21-26-19(25-20(23)27-21)10-11-28-12-14-29(15-13-28)18-4-2-1-3-5-18/h1-9H,10-15H2,(H3,23,24,25,26,27)
InChIKey
OQAZMBOYFZMGQY-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.17816 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18544 199.3
[M+Na]+ 432.16738 204.8
[M-H]- 408.17088 203.4
[M+NH4]+ 427.21198 201.9
[M+K]+ 448.14132 195.2
[M+H-H2O]+ 392.17542 184.5
[M+HCOO]- 454.17636 209.0
[M+CH3COO]- 468.19201 205.0
[M+Na-2H]- 430.15283 202.7
[M]+ 409.17761 195.0
[M]- 409.17871 195.0
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.