CID 210926

21921-65-3

Structural Information

Molecular Formula
C19H27N7O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=NC(=N3)N4CCOCC4)N
InChI
InChI=1S/C19H27N7O/c20-18-21-17(22-19(23-18)26-10-12-27-13-11-26)15-25-8-6-24(7-9-25)14-16-4-2-1-3-5-16/h1-5H,6-15H2,(H2,20,21,22,23)
InChIKey
LSUQGKZEYURBKF-UHFFFAOYSA-N
Compound name
4-[(4-benzylpiperazin-1-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.22772 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23500 195.2
[M+Na]+ 392.21694 198.1
[M-H]- 368.22044 197.8
[M+NH4]+ 387.26154 195.7
[M+K]+ 408.19088 191.7
[M+H-H2O]+ 352.22498 179.5
[M+HCOO]- 414.22592 202.8
[M+CH3COO]- 428.24157 199.8
[M+Na-2H]- 390.20239 196.7
[M]+ 369.22717 186.4
[M]- 369.22827 186.4
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.