CID 135651850

518019-33-5

Structural Information

Molecular Formula
C18H19N5O3
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C18H19N5O3/c1-12(13-7-8-16(24)17(11-13)26-2)19-21-18(25)9-10-23-15-6-4-3-5-14(15)20-22-23/h3-8,11,24H,9-10H2,1-2H3,(H,21,25)/b19-12+
InChIKey
HMTOQVWBUGHNHG-XDHOZWIPSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 181.8
[M+Na]+ 376.13802 189.4
[M-H]- 352.14152 186.3
[M+NH4]+ 371.18262 192.7
[M+K]+ 392.11196 185.1
[M+H-H2O]+ 336.14606 171.4
[M+HCOO]- 398.14700 203.8
[M+CH3COO]- 412.16265 218.0
[M+Na-2H]- 374.12347 186.2
[M]+ 353.14825 186.0
[M]- 353.14935 186.0
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.