CID 838411

N-(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

8
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

literature stripe

Patent stripe

patents stripe