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 169.0
[M+Na]+ 332.11182 177.2
[M-H]- 308.11532 173.3
[M+NH4]+ 327.15642 181.6
[M+K]+ 348.08576 172.0
[M+H-H2O]+ 292.11986 158.7
[M+HCOO]- 354.12080 192.6
[M+CH3COO]- 368.13645 179.8
[M+Na-2H]- 330.09727 176.2
[M]+ 309.12205 171.3
[M]- 309.12315 171.3
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.