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]+ 237.134596 151.4
[M+Na]+ 259.116538 155.2
[M-H]- 235.120044 156.1
[M+NH4]+ 254.161143 167.8
[M+K]+ 275.090478 150.4
[M+H-H2O]+ 219.124580 148.4
[M+HCOO]- 281.125521 179.1
[M+CH3COO]- 295.141171 196.2
[M+Na-2H]- 257.101986 157.7
[M]+ 236.12677142 148.6
[M]- 236.12786858 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.