CID 6866950

326002-72-6

Structural Information

Molecular Formula
C20H17N5O
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)CCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C20H17N5O/c26-20(12-13-25-19-11-4-3-10-18(19)22-24-25)23-21-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11,14H,12-13H2,(H,23,26)/b21-14+
InChIKey
OLBDUFYLWYXOOY-KGENOOAVSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1433 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15058 179.0
[M+Na]+ 366.13252 187.2
[M-H]- 342.13602 185.0
[M+NH4]+ 361.17712 191.6
[M+K]+ 382.10646 180.6
[M+H-H2O]+ 326.14056 167.6
[M+HCOO]- 388.14150 202.0
[M+CH3COO]- 402.15715 189.3
[M+Na-2H]- 364.11797 187.3
[M]+ 343.14275 181.7
[M]- 343.14385 181.7
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.