CID 708613

62001-33-6

Structural Information

Molecular Formula
C14H14N4O
SMILES
COC1=CC=CC=C1NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H14N4O/c1-19-14-9-5-3-7-12(14)15-10-18-13-8-4-2-6-11(13)16-17-18/h2-9,15H,10H2,1H3
InChIKey
YOTSBCWRLGXEHW-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.11676 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 155.3
[M+Na]+ 277.105978 165.2
[M-H]- 253.109484 159.6
[M+NH4]+ 272.150583 170.8
[M+K]+ 293.079918 160.3
[M+H-H2O]+ 237.114020 145.5
[M+HCOO]- 299.114961 178.9
[M+CH3COO]- 313.130611 167.7
[M+Na-2H]- 275.091426 163.8
[M]+ 254.11621142 158.4
[M]- 254.11730858 158.4
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