CID 3036151

153608-99-2

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1CC2=C(C[C@@H]1C(=O)N3CCC4=CC=CC=C43)NC=N2
InChI
InChI=1S/C16H17N3O/c20-16(12-5-6-13-14(9-12)18-10-17-13)19-8-7-11-3-1-2-4-15(11)19/h1-4,10,12H,5-9H2,(H,17,18)/t12-/m1/s1
InChIKey
GKNHGZIVTFCIOE-GFCCVEGCSA-N
Compound name
2,3-dihydroindol-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

110
Patents

267.13718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 162.8
[M+Na]+ 290.126398 169.4
[M-H]- 266.129904 165.7
[M+NH4]+ 285.171003 179.6
[M+K]+ 306.100338 163.9
[M+H-H2O]+ 250.134440 154.0
[M+HCOO]- 312.135381 177.3
[M+CH3COO]- 326.151031 172.8
[M+Na-2H]- 288.111846 163.4
[M]+ 267.13663142 158.1
[M]- 267.13772858 158.1
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