CID 9619646

393533-57-8

Structural Information

Molecular Formula
C23H21N5O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21N5O/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)24-26-23(29)15-16-28-22-10-6-5-9-21(22)25-27-28/h2-14H,15-16H2,1H3,(H,26,29)/b24-17+
InChIKey
LTEQVDAWIKAJJA-JJIBRWJFSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18190 191.7
[M+Na]+ 406.16384 198.1
[M-H]- 382.16734 199.8
[M+NH4]+ 401.20844 201.2
[M+K]+ 422.13778 191.4
[M+H-H2O]+ 366.17188 179.3
[M+HCOO]- 428.17282 214.2
[M+CH3COO]- 442.18847 200.9
[M+Na-2H]- 404.14929 196.8
[M]+ 383.17407 193.4
[M]- 383.17517 193.4
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.