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]+ 220.11929 150.0
[M+Na]+ 242.10123 161.1
[M-H]- 218.10473 150.6
[M+NH4]+ 237.14583 163.3
[M+K]+ 258.07517 161.2
[M+H-H2O]+ 202.10927 140.7
[M+HCOO]- 264.11021 167.6
[M+CH3COO]- 278.12586 161.4
[M+Na-2H]- 240.08668 155.6
[M]+ 219.11146 147.4
[M]- 219.11256 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