CID 118169681

1799327-42-6

Structural Information

Molecular Formula
C17H19FN2O
SMILES
CC1(CNC2=C1N=C(C(=C2)CC3=CC=C(C=C3)F)CO)C
InChI
InChI=1S/C17H19FN2O/c1-17(2)10-19-14-8-12(15(9-21)20-16(14)17)7-11-3-5-13(18)6-4-11/h3-6,8,19,21H,7,9-10H2,1-2H3
InChIKey
ZYXWNGVEUOLFPW-UHFFFAOYSA-N
Compound name
[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

286.14813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15541 167.3
[M+Na]+ 309.13735 176.9
[M-H]- 285.14085 168.9
[M+NH4]+ 304.18195 184.3
[M+K]+ 325.11129 170.1
[M+H-H2O]+ 269.14539 158.7
[M+HCOO]- 331.14633 183.4
[M+CH3COO]- 345.16198 177.9
[M+Na-2H]- 307.12280 169.8
[M]+ 286.14758 165.2
[M]- 286.14868 165.2
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