CID 192460

148312-33-8

Structural Information

Molecular Formula
C13H21N5O
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC3CC3
InChI
InChI=1S/C13H21N5O/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,14,15,16,17)
InChIKey
BEALUMZSRZJBDR-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.17462 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.181896 175.3
[M+Na]+ 286.163838 182.5
[M-H]- 262.167344 179.7
[M+NH4]+ 281.208443 180.0
[M+K]+ 302.137778 178.2
[M+H-H2O]+ 246.171880 163.6
[M+HCOO]- 308.172821 191.2
[M+CH3COO]- 322.188471 183.7
[M+Na-2H]- 284.149286 179.4
[M]+ 263.17407142 174.6
[M]- 263.17516858 174.6
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

patents stripe