CID 135409210

Nsc666287

Structural Information

Molecular Formula
C14H13N5O
SMILES
C1CC2=C(C1)N=C(NC2=O)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C14H13N5O/c20-12-8-4-3-7-9(8)15-14(18-12)19-13-16-10-5-1-2-6-11(10)17-13/h1-2,5-6H,3-4,7H2,(H3,15,16,17,18,19,20)
InChIKey
GAXCVJAPZXGUEB-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.112 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 156.6
[M+Na]+ 290.10122 167.0
[M-H]- 266.10472 158.9
[M+NH4]+ 285.14582 171.8
[M+K]+ 306.07516 159.9
[M+H-H2O]+ 250.10926 147.8
[M+HCOO]- 312.11020 175.4
[M+CH3COO]- 326.12585 167.7
[M+Na-2H]- 288.08667 162.4
[M]+ 267.11145 155.0
[M]- 267.11255 155.0
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.