CID 7441172

384849-26-7

Structural Information

Molecular Formula
C21H19N5O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H19N5O/c1-15(17-11-10-16-6-2-3-7-18(16)14-17)22-24-21(27)12-13-26-20-9-5-4-8-19(20)23-25-26/h2-11,14H,12-13H2,1H3,(H,24,27)/b22-15+
InChIKey
UNAVZGUPBFMGSV-PXLXIMEGSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-naphthalen-2-ylethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15897 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16625 184.0
[M+Na]+ 380.14819 191.4
[M-H]- 356.15169 190.0
[M+NH4]+ 375.19279 196.0
[M+K]+ 396.12213 185.1
[M+H-H2O]+ 340.15623 172.7
[M+HCOO]- 402.15717 205.7
[M+CH3COO]- 416.17282 193.8
[M+Na-2H]- 378.13364 190.8
[M]+ 357.15842 186.5
[M]- 357.15952 186.5
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.