CID 677594

298217-97-7

Structural Information

Molecular Formula
C14H13ClN4O
SMILES
COC1=C(C=C(C=C1)Cl)NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H13ClN4O/c1-20-14-7-6-10(15)8-12(14)16-9-19-13-5-3-2-4-11(13)17-18-19/h2-8,16H,9H2,1H3
InChIKey
JORHBZCUNYGFIZ-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-5-chloro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0778 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08508 162.7
[M+Na]+ 311.06702 179.1
[M+NH4]+ 306.11162 171.0
[M+K]+ 327.04096 172.3
[M-H]- 287.07052 166.7
[M+Na-2H]- 309.05247 172.0
[M]+ 288.07725 166.5
[M]- 288.07835 166.5
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.