CID 9604795

4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-one oxime

Structural Information

Molecular Formula
C18H18N6O
SMILES
C/C(=N\O)/CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C18H18N6O/c1-13(21-25)10-11-23-16-8-4-2-6-14(16)19-18(23)12-24-17-9-5-3-7-15(17)20-22-24/h2-9,25H,10-12H2,1H3/b21-13+
InChIKey
LVCNOJQVKNMBKT-FYJGNVAPSA-N
Compound name
(NE)-N-[4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]butan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16148 178.0
[M+Na]+ 357.14342 188.9
[M-H]- 333.14692 181.8
[M+NH4]+ 352.18802 190.4
[M+K]+ 373.11736 182.4
[M+H-H2O]+ 317.15146 167.2
[M+HCOO]- 379.15240 198.6
[M+CH3COO]- 393.16805 188.6
[M+Na-2H]- 355.12887 183.0
[M]+ 334.15365 183.5
[M]- 334.15475 183.5
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.