CID 838411

N-(1h-benzotriazol-1-ylmethyl)-3-methylaniline

Structural Information

Molecular Formula
C14H14N4
SMILES
CC1=CC(=CC=C1)NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H14N4/c1-11-5-4-6-12(9-11)15-10-18-14-8-3-2-7-13(14)16-17-18/h2-9,15H,10H2,1H3
InChIKey
ADECMSOXBODSSY-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.12184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12912 152.4
[M+Na]+ 261.11106 162.5
[M-H]- 237.11456 156.7
[M+NH4]+ 256.15566 168.6
[M+K]+ 277.08500 157.0
[M+H-H2O]+ 221.11910 142.8
[M+HCOO]- 283.12004 175.8
[M+CH3COO]- 297.13569 165.0
[M+Na-2H]- 259.09651 160.9
[M]+ 238.12129 154.1
[M]- 238.12239 154.1
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.