CID 15359

Atraton

Structural Information

Molecular Formula
C9H17N5O
SMILES
CCNC1=NC(=NC(=N1)OC)NC(C)C
InChI
InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey
PXWUKZGIHQRDHL-UHFFFAOYSA-N
Compound name
4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

106
References

7673
Patents

211.14331 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 149.4
[M+Na]+ 234.13253 156.8
[M-H]- 210.13603 149.3
[M+NH4]+ 229.17713 163.9
[M+K]+ 250.10647 155.1
[M+H-H2O]+ 194.14057 140.6
[M+HCOO]- 256.14151 171.3
[M+CH3COO]- 270.15716 194.6
[M+Na-2H]- 232.11798 155.8
[M]+ 211.14276 150.9
[M]- 211.14386 150.9
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