CID 3008699

Chembl529344

Structural Information

Molecular Formula
C15H17N5O
SMILES
CC1N=C(N=C(N1OCC2=CC=CC3=CC=CC=C32)N)N
InChI
InChI=1S/C15H17N5O/c1-10-18-14(16)19-15(17)20(10)21-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H4,16,17,18,19)
InChIKey
HAFUIJFARJONDB-UHFFFAOYSA-N
Compound name
2-methyl-1-(naphthalen-1-ylmethoxy)-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1433 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15058 167.4
[M+Na]+ 306.13252 176.1
[M-H]- 282.13602 170.5
[M+NH4]+ 301.17712 179.3
[M+K]+ 322.10646 170.4
[M+H-H2O]+ 266.14056 157.2
[M+HCOO]- 328.14150 186.7
[M+CH3COO]- 342.15715 177.6
[M+Na-2H]- 304.11797 173.4
[M]+ 283.14275 165.5
[M]- 283.14385 165.5
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.