CID 71986744

3-[5-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-1-yl]propan-1-ol

Structural Information

Molecular Formula
C15H24N2O2
SMILES
C1CN(C2=CC=CC=C2N(C1)CCCO)CCCO
InChI
InChI=1S/C15H24N2O2/c18-12-4-10-16-8-3-9-17(11-5-13-19)15-7-2-1-6-14(15)16/h1-2,6-7,18-19H,3-5,8-13H2
InChIKey
OXKDNCDMHSVZRX-UHFFFAOYSA-N
Compound name
3-[5-(3-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 160.8
[M+Na]+ 287.17300 164.6
[M-H]- 263.17650 160.2
[M+NH4]+ 282.21760 173.6
[M+K]+ 303.14694 164.6
[M+H-H2O]+ 247.18104 153.0
[M+HCOO]- 309.18198 174.8
[M+CH3COO]- 323.19763 195.1
[M+Na-2H]- 285.15845 164.5
[M]+ 264.18323 156.7
[M]- 264.18433 156.7
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.