CID 89073

N-octadecyl-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C21H42N6
SMILES
CCCCCCCCCCCCCCCCCCNC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C21H42N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21-26-19(22)25-20(23)27-21/h2-18H2,1H3,(H5,22,23,24,25,26,27)
InChIKey
YVQGTGVCLMMSTL-UHFFFAOYSA-N
Compound name
2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

378.3471 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.35438 199.0
[M+Na]+ 401.33632 200.6
[M-H]- 377.33982 195.7
[M+NH4]+ 396.38092 206.1
[M+K]+ 417.31026 194.6
[M+H-H2O]+ 361.34436 187.7
[M+HCOO]- 423.34530 217.6
[M+CH3COO]- 437.36095 231.4
[M+Na-2H]- 399.32177 199.3
[M]+ 378.34655 201.4
[M]- 378.34765 201.4
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