CID 5339035

305353-49-5

Structural Information

Molecular Formula
C21H17N5O2
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/NC(=O)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H17N5O2/c27-21(15-26-20-12-5-4-11-19(20)23-25-26)24-22-14-16-7-6-10-18(13-16)28-17-8-2-1-3-9-17/h1-14H,15H2,(H,24,27)/b22-14+
InChIKey
YZGLJMCIEDXCQS-HYARGMPZSA-N
Compound name
2-(benzotriazol-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.1382 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 185.0
[M+Na]+ 394.12742 192.5
[M-H]- 370.13092 193.3
[M+NH4]+ 389.17202 195.0
[M+K]+ 410.10136 186.3
[M+H-H2O]+ 354.13546 172.7
[M+HCOO]- 416.13640 209.3
[M+CH3COO]- 430.15205 195.1
[M+Na-2H]- 392.11287 192.4
[M]+ 371.13765 188.0
[M]- 371.13875 188.0
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

No patent data available for this compound.