CID 11971096

2,4-diamino-6-(2-methoxy-3-naphthyl)-s-triazine

Structural Information

Molecular Formula
C14H13N5O
SMILES
COC1=CC2=CC=CC=C2C=C1C3=NC(=NC(=N3)N)N
InChI
InChI=1S/C14H13N5O/c1-20-11-7-9-5-3-2-4-8(9)6-10(11)12-17-13(15)19-14(16)18-12/h2-7H,1H3,(H4,15,16,17,18,19)
InChIKey
IOMPKTJGTJQDMT-UHFFFAOYSA-N
Compound name
6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.112 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 162.1
[M+Na]+ 290.10122 172.2
[M-H]- 266.10472 165.8
[M+NH4]+ 285.14582 174.8
[M+K]+ 306.07516 166.5
[M+H-H2O]+ 250.10926 152.1
[M+HCOO]- 312.11020 183.2
[M+CH3COO]- 326.12585 173.3
[M+Na-2H]- 288.08667 169.7
[M]+ 267.11145 161.2
[M]- 267.11255 161.2
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

patents stripe