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

2658
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 198.0
[M+Na]+ 395.31452 207.8
[M+NH4]+ 390.35912 203.8
[M+K]+ 411.28846 201.5
[M-H]- 371.31802 198.9
[M+Na-2H]- 393.29997 201.2
[M]+ 372.32475 199.5
[M]- 372.32585 199.5
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