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

73
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 169.4
[M-H]- 266.12990 165.7
[M+NH4]+ 285.17100 179.6
[M+K]+ 306.10034 163.9
[M+H-H2O]+ 250.13444 154.0
[M+HCOO]- 312.13538 177.3
[M+CH3COO]- 326.15103 172.8
[M+Na-2H]- 288.11185 163.4
[M]+ 267.13663 158.1
[M]- 267.13773 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