CID 76069

N,n,n',n',n'',n''-hexaallyl-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C21H30N6
SMILES
C=CCN(CC=C)C1=NC(=NC(=N1)N(CC=C)CC=C)N(CC=C)CC=C
InChI
InChI=1S/C21H30N6/c1-7-13-25(14-8-2)19-22-20(26(15-9-3)16-10-4)24-21(23-19)27(17-11-5)18-12-6/h7-12H,1-6,13-18H2
InChIKey
MCGWUHXQWMFRNN-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1520
Patents

366.2532 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.260476 194.8
[M+Na]+ 389.242418 198.7
[M-H]- 365.245924 197.1
[M+NH4]+ 384.287023 204.2
[M+K]+ 405.216358 193.7
[M+H-H2O]+ 349.250460 183.3
[M+HCOO]- 411.251401 217.2
[M+CH3COO]- 425.267051 237.6
[M+Na-2H]- 387.227866 194.9
[M]+ 366.25265142 198.8
[M]- 366.25374858 198.8
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

No patent data available for this compound.