CID 135554399

478530-52-8

Structural Information

Molecular Formula
C16H15N5O2
SMILES
C1=CC=C2C(=C1)N=NN2CCC(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C16H15N5O2/c22-13-7-5-12(6-8-13)11-17-19-16(23)9-10-21-15-4-2-1-3-14(15)18-20-21/h1-8,11,22H,9-10H2,(H,19,23)/b17-11+
InChIKey
XHXZTWBAARGDQY-GZTJUZNOSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1226 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 170.2
[M+Na]+ 332.11182 182.8
[M+NH4]+ 327.15642 176.1
[M+K]+ 348.08576 178.1
[M-H]- 308.11532 173.0
[M+Na-2H]- 330.09727 177.9
[M]+ 309.12205 172.5
[M]- 309.12315 172.5
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.