CID 16073812

1-(3-heptoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C18H29N5O
SMILES
CCCCCCCOC1=CC=CC(=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C18H29N5O/c1-4-5-6-7-8-12-24-15-11-9-10-14(13-15)23-17(20)21-16(19)22-18(23,2)3/h9-11,13H,4-8,12H2,1-3H3,(H4,19,20,21,22)
InChIKey
OSXIXPYATVCBES-UHFFFAOYSA-N
Compound name
1-(3-heptoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.24448 183.6
[M+Na]+ 354.22642 190.5
[M-H]- 330.22992 185.3
[M+NH4]+ 349.27102 194.9
[M+K]+ 370.20036 185.4
[M+H-H2O]+ 314.23446 173.5
[M+HCOO]- 376.23540 202.3
[M+CH3COO]- 390.25105 217.5
[M+Na-2H]- 352.21187 186.0
[M]+ 331.23665 184.2
[M]- 331.23775 184.2
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.