CID 26793272

173459-80-8

Structural Information

Molecular Formula
C16H14N4O3
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C16H14N4O3/c21-15(20-14-9-5-4-8-13(14)18-19-20)10-17-16(22)23-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,22)
InChIKey
GXIYFGDLDAFXEF-UHFFFAOYSA-N
Compound name
benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

310.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 169.1
[M+Na]+ 333.09582 176.9
[M-H]- 309.09932 173.3
[M+NH4]+ 328.14042 181.7
[M+K]+ 349.06976 172.9
[M+H-H2O]+ 293.10386 158.9
[M+HCOO]- 355.10480 190.8
[M+CH3COO]- 369.12045 203.8
[M+Na-2H]- 331.08127 175.3
[M]+ 310.10605 172.4
[M]- 310.10715 172.4
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