CID 459163

N2-allyl-n4-phenylmelamine

Structural Information

Molecular Formula
C12H14N6
SMILES
C=CCNC1=NC(=NC(=N1)N)NC2=CC=CC=C2
InChI
InChI=1S/C12H14N6/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H4,13,14,15,16,17,18)
InChIKey
IVBPYOAAGJKMBT-UHFFFAOYSA-N
Compound name
2-N-phenyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12799 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13527 154.6
[M+Na]+ 265.11721 161.9
[M-H]- 241.12071 157.1
[M+NH4]+ 260.16181 166.8
[M+K]+ 281.09115 156.4
[M+H-H2O]+ 225.12525 144.4
[M+HCOO]- 287.12619 178.3
[M+CH3COO]- 301.14184 200.1
[M+Na-2H]- 263.10266 163.1
[M]+ 242.12744 151.6
[M]- 242.12854 151.6
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.