CID 135937949

Mtmb-4

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CC(C[N+]1=CC=C(C=C1)/C=N/O)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C16H18N4O2/c1-14(12-19-6-2-15(3-7-19)10-17-21)13-20-8-4-16(5-9-20)11-18-22/h2-11,14H,12-13H2,1H3/p+2
InChIKey
YAGAABGPZWUBAI-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-methylpropyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 172.6
[M+Na]+ 323.14785 177.9
[M-H]- 299.15135 176.9
[M+NH4]+ 318.19245 183.4
[M+K]+ 339.12179 162.6
[M+H-H2O]+ 283.15589 167.8
[M+HCOO]- 345.15683 194.3
[M+CH3COO]- 359.17248 194.0
[M+Na-2H]- 321.13330 182.7
[M]+ 300.15808 170.6
[M]- 300.15918 170.6
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.