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]+ 301.165906 172.6
[M+Na]+ 323.147848 177.9
[M-H]- 299.151354 176.9
[M+NH4]+ 318.192453 183.4
[M+K]+ 339.121788 162.6
[M+H-H2O]+ 283.155890 167.8
[M+HCOO]- 345.156831 194.3
[M+CH3COO]- 359.172481 194.0
[M+Na-2H]- 321.133296 182.7
[M]+ 300.15808142 170.6
[M]- 300.15917858 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.