CID 5423377

478515-63-8

Structural Information

Molecular Formula
C18H19N5O2
SMILES
C/C(=N/NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H19N5O2/c1-13(14-7-9-15(25-2)10-8-14)19-21-18(24)11-12-23-17-6-4-3-5-16(17)20-22-23/h3-10H,11-12H2,1-2H3,(H,21,24)/b19-13-
InChIKey
OKKPLZXLABKPEQ-UYRXBGFRSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 178.3
[M+Na]+ 360.14309 190.7
[M+NH4]+ 355.18769 184.1
[M+K]+ 376.11703 186.0
[M-H]- 336.14659 181.4
[M+Na-2H]- 358.12854 185.8
[M]+ 337.15332 180.7
[M]- 337.15442 180.7
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.