CID 89620

22187-43-5

Structural Information

Molecular Formula
C15H17N3
SMILES
CN1CCN=C(N1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H17N3/c1-18-10-9-16-15(17-18)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,16,17)
InChIKey
LHNCXCNNNBRXIX-UHFFFAOYSA-N
Compound name
1-methyl-3-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 157.2
[M+Na]+ 262.13146 164.2
[M-H]- 238.13496 158.5
[M+NH4]+ 257.17606 170.7
[M+K]+ 278.10540 158.0
[M+H-H2O]+ 222.13950 147.2
[M+HCOO]- 284.14044 172.5
[M+CH3COO]- 298.15609 167.1
[M+Na-2H]- 260.11691 163.9
[M]+ 239.14169 152.8
[M]- 239.14279 152.8
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