CID 379035

120873-27-0

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CC2=C(N=C1)N=C(NNC2=O)N
InChI
InChI=1S/C7H7N5O/c8-7-10-5-4(2-1-3-9-5)6(13)11-12-7/h1-3H,(H,11,13)(H3,8,9,10,12)
InChIKey
RPMPHAQTRSNDFR-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06506 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 133.9
[M+Na]+ 200.05428 143.8
[M+NH4]+ 195.09888 139.3
[M+K]+ 216.02822 141.0
[M-H]- 176.05778 133.0
[M+Na-2H]- 198.03973 138.7
[M]+ 177.06451 134.7
[M]- 177.06561 134.7
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.