CID 15959236

Xp-59

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

CN(C)C1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3

InChIKey

UOITWBIZHQLMTH-UHFFFAOYSA-N

Compound name

benzotriazol-1-yl 4-(dimethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 282.11166 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.11894	162.9
[M+Na]+	305.10088	172.3
[M-H]-	281.10438	168.8
[M+NH4]+	300.14548	177.6
[M+K]+	321.07482	169.1
[M+H-H2O]+	265.10892	152.8
[M+HCOO]-	327.10986	186.0
[M+CH3COO]-	341.12551	175.2
[M+Na-2H]-	303.08633	169.1
[M]+	282.11111	167.5
[M]-	282.11221	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe