CID 516593

121845-46-3

Structural Information

Molecular Formula
C23H38N4
SMILES
CCCCCCCCCCCCCCCCCC1=NC2=C(C=CN=C2)N=N1
InChI
InChI=1S/C23H38N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-22-20-24-19-18-21(22)26-27-23/h18-20H,2-17H2,1H3
InChIKey
ULGZKTOSEWFLNK-UHFFFAOYSA-N
Compound name
3-heptadecylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.30966 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31694 199.6
[M+Na]+ 393.29888 203.1
[M-H]- 369.30238 195.8
[M+NH4]+ 388.34348 207.3
[M+K]+ 409.27282 196.0
[M+H-H2O]+ 353.30692 187.2
[M+HCOO]- 415.30786 213.6
[M+CH3COO]- 429.32351 222.3
[M+Na-2H]- 391.28433 202.7
[M]+ 370.30911 205.2
[M]- 370.31021 205.2
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.