CID 3080127

127374-85-0

Structural Information

Molecular Formula
C19H27N5O2
SMILES
CCCC1=NC(=NC(=N1)N(CCO)CC2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C19H27N5O2/c1-2-6-17-20-18(23-10-13-26-14-11-23)22-19(21-17)24(9-12-25)15-16-7-4-3-5-8-16/h3-5,7-8,25H,2,6,9-15H2,1H3
InChIKey
OJUOCXIDKPCXNG-UHFFFAOYSA-N
Compound name
2-[benzyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22374 189.1
[M+Na]+ 380.20568 192.3
[M-H]- 356.20918 192.5
[M+NH4]+ 375.25028 193.6
[M+K]+ 396.17962 188.5
[M+H-H2O]+ 340.21372 175.8
[M+HCOO]- 402.21466 202.6
[M+CH3COO]- 416.23031 217.0
[M+Na-2H]- 378.19113 192.5
[M]+ 357.21591 187.6
[M]- 357.21701 187.6
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.