CID 13290

Methoprotryne

Structural Information

Molecular Formula
C11H21N5OS
SMILES
CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
InChI
InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
DDUIUBPJPOKOMV-UHFFFAOYSA-N
Compound name
4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

5059
Patents

271.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.153946 162.1
[M+Na]+ 294.135888 168.7
[M-H]- 270.139394 161.6
[M+NH4]+ 289.180493 174.8
[M+K]+ 310.109828 165.2
[M+H-H2O]+ 254.143930 153.1
[M+HCOO]- 316.144871 178.0
[M+CH3COO]- 330.160521 204.2
[M+Na-2H]- 292.121336 164.6
[M]+ 271.14612142 166.3
[M]- 271.14721858 166.3
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