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 155.3
[M+Na]+ 277.10598 165.2
[M-H]- 253.10948 159.6
[M+NH4]+ 272.15058 170.8
[M+K]+ 293.07992 160.3
[M+H-H2O]+ 237.11402 145.5
[M+HCOO]- 299.11496 178.9
[M+CH3COO]- 313.13061 167.7
[M+Na-2H]- 275.09143 163.8
[M]+ 254.11621 158.4
[M]- 254.11731 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