CID 4437007

3-(dibenzylamino)-1-propanol

Structural Information

Molecular Formula
C17H21NO
SMILES
C1=CC=C(C=C1)CN(CCCO)CC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2
InChIKey
LKOXRTJFYFGTKJ-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

255.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.2
[M+Na]+ 278.15153 165.2
[M-H]- 254.15503 166.8
[M+NH4]+ 273.19613 177.1
[M+K]+ 294.12547 161.5
[M+H-H2O]+ 238.15957 152.8
[M+HCOO]- 300.16051 184.7
[M+CH3COO]- 314.17616 198.8
[M+Na-2H]- 276.13698 166.7
[M]+ 255.16176 161.3
[M]- 255.16286 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe