CID 201930

Brn 0629102

Structural Information

Molecular Formula
C19H29N7
SMILES
CCCCNC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H29N7/c1-2-3-10-21-19-23-17(22-18(20)24-19)9-11-25-12-14-26(15-13-25)16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H3,20,21,22,23,24)
InChIKey
XIEQPVDYNFJCHG-UHFFFAOYSA-N
Compound name
2-N-butyl-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

355.24844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25572 190.2
[M+Na]+ 378.23766 194.1
[M-H]- 354.24116 191.4
[M+NH4]+ 373.28226 194.8
[M+K]+ 394.21160 186.8
[M+H-H2O]+ 338.24570 176.6
[M+HCOO]- 400.24664 204.4
[M+CH3COO]- 414.26229 196.3
[M+Na-2H]- 376.22311 193.5
[M]+ 355.24789 185.5
[M]- 355.24899 185.5
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.