CID 5521017

326002-05-5

Structural Information

Molecular Formula
C17H16BrN5O
SMILES
C/C(=N/NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H16BrN5O/c1-12(13-6-8-14(18)9-7-13)19-21-17(24)10-11-23-16-5-3-2-4-15(16)20-22-23/h2-9H,10-11H2,1H3,(H,21,24)/b19-12-
InChIKey
RMWKARCLGHQCAH-UNOMPAQXSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.05383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06111 182.1
[M+Na]+ 408.04305 185.3
[M+NH4]+ 403.08765 184.9
[M+K]+ 424.01699 185.9
[M-H]- 384.04655 183.7
[M+Na-2H]- 406.02850 186.1
[M]+ 385.05328 181.6
[M]- 385.05438 181.6
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.