CID 135479309

326001-95-0

Structural Information

Molecular Formula
C20H17N5O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CCN3C4=CC=CC=C4N=N3)O
InChI
InChI=1S/C20H17N5O2/c26-19-10-9-14-5-1-2-6-15(14)16(19)13-21-23-20(27)11-12-25-18-8-4-3-7-17(18)22-24-25/h1-10,13,26H,11-12H2,(H,23,27)/b21-13+
InChIKey
UAGIIMCUTVUENJ-FYJGNVAPSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1382 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14548 184.1
[M+Na]+ 382.12742 198.3
[M+NH4]+ 377.17202 190.7
[M+K]+ 398.10136 192.2
[M-H]- 358.13092 188.2
[M+Na-2H]- 380.11287 191.9
[M]+ 359.13765 187.1
[M]- 359.13875 187.1
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.