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]+ 178.072336 136.7
[M+Na]+ 200.054278 145.1
[M-H]- 176.057784 135.0
[M+NH4]+ 195.098883 149.9
[M+K]+ 216.028218 144.9
[M+H-H2O]+ 160.062320 127.3
[M+HCOO]- 222.063261 152.6
[M+CH3COO]- 236.078911 147.3
[M+Na-2H]- 198.039726 144.8
[M]+ 177.06451142 129.0
[M]- 177.06560858 129.0
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.