CID 135770246

8-amino-1,3,5-trimethyl-1h-pyrimido(4,5-c)-1,2-diazepin-6(7h)-one

Structural Information

Molecular Formula
C10H13N5O
SMILES
CC1=CC(=NN(C2=C1C(=O)NC(=N2)N)C)C
InChI
InChI=1S/C10H13N5O/c1-5-4-6(2)14-15(3)8-7(5)9(16)13-10(11)12-8/h4H,1-3H3,(H3,11,12,13,16)
InChIKey
LTBMPHGYBLLJRQ-UHFFFAOYSA-N
Compound name
8-amino-1,3,5-trimethyl-7H-pyrimido[4,5-c]diazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.11201 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 150.0
[M+Na]+ 242.101228 161.1
[M-H]- 218.104734 150.6
[M+NH4]+ 237.145833 163.3
[M+K]+ 258.075168 161.2
[M+H-H2O]+ 202.109270 140.7
[M+HCOO]- 264.110211 167.6
[M+CH3COO]- 278.125861 161.4
[M+Na-2H]- 240.086676 155.6
[M]+ 219.11146142 147.4
[M]- 219.11255858 147.4
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

patents stripe