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

74
Patents

267.13718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 162.8
[M+Na]+ 290.12640 174.3
[M+NH4]+ 285.17100 171.2
[M+K]+ 306.10034 171.2
[M-H]- 266.12990 165.0
[M+Na-2H]- 288.11185 167.1
[M]+ 267.13663 164.8
[M]- 267.13773 164.8
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