CID 3581777

N-(1h-benzotriazol-1-ylmethyl)-2-(tetradecyloxy)aniline

Structural Information

Molecular Formula
C27H40N4O
SMILES
CCCCCCCCCCCCCCOC1=CC=CC=C1NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C27H40N4O/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-32-27-21-16-14-19-25(27)28-23-31-26-20-15-13-18-24(26)29-30-31/h13-16,18-21,28H,2-12,17,22-23H2,1H3
InChIKey
FGTQEUXJKFEIEW-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-tetradecoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.32022 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.32750 212.4
[M+Na]+ 459.30944 216.1
[M-H]- 435.31294 214.1
[M+NH4]+ 454.35404 220.1
[M+K]+ 475.28338 208.3
[M+H-H2O]+ 419.31748 199.7
[M+HCOO]- 481.31842 231.3
[M+CH3COO]- 495.33407 234.5
[M+Na-2H]- 457.29489 214.0
[M]+ 436.31967 219.5
[M]- 436.32077 219.5
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

No patent data available for this compound.