CID 166520

80301-64-0

Structural Information

Molecular Formula
C23H40N4
SMILES
CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C23H40N4/c1-5-9-13-20(7-3)17-26(18-21(8-4)14-10-6-2)19-27-23-16-12-11-15-22(23)24-25-27/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3
InChIKey
OKQVTLCUHATGDD-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2702
Patents

372.3253 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33258 201.2
[M+Na]+ 395.31452 204.4
[M-H]- 371.31802 201.3
[M+NH4]+ 390.35912 212.5
[M+K]+ 411.28846 200.1
[M+H-H2O]+ 355.32256 190.1
[M+HCOO]- 417.32350 218.5
[M+CH3COO]- 431.33915 229.1
[M+Na-2H]- 393.29997 200.0
[M]+ 372.32475 208.1
[M]- 372.32585 208.1
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

patents stripe