CID 3008695

1-decoxy-2-pentyl-2h-1,3,5-triazine-4,6-diamine

Structural Information

Molecular Formula
C18H37N5O
SMILES
CCCCCCCCCCON1C(N=C(N=C1N)N)CCCCC
InChI
InChI=1S/C18H37N5O/c1-3-5-7-8-9-10-11-13-15-24-23-16(14-12-6-4-2)21-17(19)22-18(23)20/h16H,3-15H2,1-2H3,(H4,19,20,21,22)
InChIKey
GHXCMRUAPRMHLI-UHFFFAOYSA-N
Compound name
1-decoxy-2-pentyl-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2998 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.30708 189.9
[M+Na]+ 362.28902 193.5
[M-H]- 338.29252 187.0
[M+NH4]+ 357.33362 199.0
[M+K]+ 378.26296 188.9
[M+H-H2O]+ 322.29706 179.5
[M+HCOO]- 384.29800 207.1
[M+CH3COO]- 398.31365 221.0
[M+Na-2H]- 360.27447 189.1
[M]+ 339.29925 192.3
[M]- 339.30035 192.3
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

No patent data available for this compound.