CID 5984696

2,4-diamino-6-styryl-s-triazine

Structural Information

Molecular Formula
C11H11N5
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C11H11N5/c12-10-14-9(15-11(13)16-10)7-6-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14,15,16)/b7-6+
InChIKey
KRGRCFBEYOQSSO-VOTSOKGWSA-N
Compound name
6-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10144 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10872 148.2
[M+Na]+ 236.09066 157.0
[M-H]- 212.09416 150.5
[M+NH4]+ 231.13526 161.8
[M+K]+ 252.06460 151.4
[M+H-H2O]+ 196.09870 138.7
[M+HCOO]- 258.09964 170.7
[M+CH3COO]- 272.11529 159.7
[M+Na-2H]- 234.07611 155.6
[M]+ 213.10089 144.5
[M]- 213.10199 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.