CID 37999

38261-23-3

Structural Information

Molecular Formula
C11H16N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(N)N
InChI
InChI=1S/C11H16N4O4/c1-17-7-4-6(10(16)14-15-11(12)13)5-8(18-2)9(7)19-3/h4-5H,1-3H3,(H,14,16)(H4,12,13,15)
InChIKey
YXOOOTNZWCXVPJ-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.124436 158.7
[M+Na]+ 291.106378 164.7
[M-H]- 267.109884 163.2
[M+NH4]+ 286.150983 174.2
[M+K]+ 307.080318 164.8
[M+H-H2O]+ 251.114420 150.6
[M+HCOO]- 313.115361 186.0
[M+CH3COO]- 327.131011 210.1
[M+Na-2H]- 289.091826 160.9
[M]+ 268.11661142 160.0
[M]- 268.11770858 160.0
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.