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

1
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

patents stripe