CID 163595

91273-04-0

Structural Information

Molecular Formula
C19H38N4
SMILES
CCCCC(CC)CN(CC(CC)CCCC)CN1C=NC=N1
InChI
InChI=1S/C19H38N4/c1-5-9-11-18(7-3)13-22(17-23-16-20-15-21-23)14-19(8-4)12-10-6-2/h15-16,18-19H,5-14,17H2,1-4H3
InChIKey
AVBBHCMDRGQBNW-UHFFFAOYSA-N
Compound name
2-ethyl-N-(2-ethylhexyl)-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

803
Patents

322.30966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.31694 188.6
[M+Na]+ 345.29888 190.4
[M-H]- 321.30238 187.6
[M+NH4]+ 340.34348 200.8
[M+K]+ 361.27282 188.3
[M+H-H2O]+ 305.30692 177.9
[M+HCOO]- 367.30786 206.2
[M+CH3COO]- 381.32351 219.3
[M+Na-2H]- 343.28433 186.4
[M]+ 322.30911 193.7
[M]- 322.31021 193.7
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