CID 162345576

Ns00133273

Structural Information

Molecular Formula
C9H9N3O
SMILES
C=C1CNC2=C(C=CC=N2)C(=O)N1
InChI
InChI=1S/C9H9N3O/c1-6-5-11-8-7(9(13)12-6)3-2-4-10-8/h2-4H,1,5H2,(H,10,11)(H,12,13)
InChIKey
VWWUYXXSBIWEQF-UHFFFAOYSA-N
Compound name
3-methylidene-1,2-dihydropyrido[2,3-e][1,4]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.5
[M+Na]+ 198.063768 142.8
[M-H]- 174.067274 134.8
[M+NH4]+ 193.108373 150.5
[M+K]+ 214.037708 142.1
[M+H-H2O]+ 158.071810 127.7
[M+HCOO]- 220.072751 150.4
[M+CH3COO]- 234.088401 146.3
[M+Na-2H]- 196.049216 142.2
[M]+ 175.07400142 127.4
[M]- 175.07509858 127.4
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.