CID 135434949

Pr-h-286 bs

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)N/N=[N+](\C)/[O-]
InChI
InChI=1S/C11H16N4O2/c1-8(2)12-11(16)9-4-6-10(7-5-9)13-14-15(3)17/h4-8,13H,1-3H3,(H,12,16)/b15-14+
InChIKey
BWROVADFQQAOMV-CCEZHUSRSA-N
Compound name
(E)-methyl-oxido-[[4-(propan-2-ylcarbamoyl)phenyl]hydrazinylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 151.4
[M+Na]+ 259.11654 155.2
[M-H]- 235.12004 156.1
[M+NH4]+ 254.16114 167.8
[M+K]+ 275.09048 150.4
[M+H-H2O]+ 219.12458 148.4
[M+HCOO]- 281.12552 179.1
[M+CH3COO]- 295.14117 196.2
[M+Na-2H]- 257.10199 157.7
[M]+ 236.12677 148.6
[M]- 236.12787 148.6
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.