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]+ 354.156076 181.8
[M+Na]+ 376.138018 189.4
[M-H]- 352.141524 186.3
[M+NH4]+ 371.182623 192.7
[M+K]+ 392.111958 185.1
[M+H-H2O]+ 336.146060 171.4
[M+HCOO]- 398.147001 203.8
[M+CH3COO]- 412.162651 218.0
[M+Na-2H]- 374.123466 186.2
[M]+ 353.14825142 186.0
[M]- 353.14934858 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.