CID 749680

93438-27-8

Structural Information

Molecular Formula

C₁₇H₂₂N₆O₂

SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C17H22N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h1-5H,6-13H2,(H,18,19,20,21)

InChIKey

MKAUGKLCEXBZIA-UHFFFAOYSA-N

Compound name

4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 342.18042 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.18770	184.3
[M+Na]+	365.16964	187.1
[M-H]-	341.17314	189.3
[M+NH4]+	360.21424	185.8
[M+K]+	381.14358	183.5
[M+H-H2O]+	325.17768	169.3
[M+HCOO]-	387.17862	193.8
[M+CH3COO]-	401.19427	190.4
[M+Na-2H]-	363.15509	188.7
[M]+	342.17987	176.8
[M]-	342.18097	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe