CID 51060058

Ethyl 1h-1,2,3-benzotriazol-1-ylmethyl(2-cyanophenyl)carbamate

Structural Information

Molecular Formula
C17H15N5O2
SMILES
CCOC(=O)N(CN1C2=CC=CC=C2N=N1)C3=CC=CC=C3C#N
InChI
InChI=1S/C17H15N5O2/c1-2-24-17(23)21(15-9-5-3-7-13(15)11-18)12-22-16-10-6-4-8-14(16)19-20-22/h3-10H,2,12H2,1H3
InChIKey
YFITZMNYZKKQIV-UHFFFAOYSA-N
Compound name
ethyl N-(benzotriazol-1-ylmethyl)-N-(2-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1226 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 175.3
[M+Na]+ 344.11182 184.9
[M-H]- 320.11532 177.9
[M+NH4]+ 339.15642 186.1
[M+K]+ 360.08576 179.4
[M+H-H2O]+ 304.11986 157.4
[M+HCOO]- 366.12080 193.1
[M+CH3COO]- 380.13645 184.1
[M+Na-2H]- 342.09727 179.1
[M]+ 321.12205 173.8
[M]- 321.12315 173.8
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.