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

8
Patents

254.11676 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 156.3
[M+Na]+ 277.10598 171.4
[M+NH4]+ 272.15058 164.4
[M+K]+ 293.07992 165.4
[M-H]- 253.10948 160.1
[M+Na-2H]- 275.09143 165.8
[M]+ 254.11621 159.5
[M]- 254.11731 159.5
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