CID 7349326

326002-00-0

Structural Information

Molecular Formula
C17H17N5O
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CC=C3
InChI
InChI=1S/C17H17N5O/c1-13(14-7-3-2-4-8-14)18-20-17(23)11-12-22-16-10-6-5-9-15(16)19-21-22/h2-10H,11-12H2,1H3,(H,20,23)/b18-13+
InChIKey
FRLDHZRPNJGICL-QGOAFFKASA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 170.8
[M+Na]+ 330.13252 177.9
[M-H]- 306.13602 175.9
[M+NH4]+ 325.17712 183.9
[M+K]+ 346.10646 173.2
[M+H-H2O]+ 290.14056 159.9
[M+HCOO]- 352.14150 194.3
[M+CH3COO]- 366.15715 181.5
[M+Na-2H]- 328.11797 177.4
[M]+ 307.14275 172.9
[M]- 307.14385 172.9
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.