CID 45379087

4-(4,6-dimorpholino-1,3,5-triazin-2-yl)aniline

Structural Information

Molecular Formula
C17H22N6O2
SMILES
C1COCCN1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)N4CCOCC4
InChI
InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
InChIKey
OGMSQGCPVLGNIG-UHFFFAOYSA-N
Compound name
4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

342.18042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18770 186.9
[M+Na]+ 365.16964 190.8
[M-H]- 341.17314 191.9
[M+NH4]+ 360.21424 188.5
[M+K]+ 381.14358 186.7
[M+H-H2O]+ 325.17768 172.2
[M+HCOO]- 387.17862 195.8
[M+CH3COO]- 401.19427 193.1
[M+Na-2H]- 363.15509 189.5
[M]+ 342.17987 179.0
[M]- 342.18097 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe