CID 3039566

50820-89-8

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(CC)CC)O
InChI
InChI=1S/C21H27N3O/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3/h7-14,20,25H,4-6,15H2,1-3H3
InChIKey
ZZLAJGOVKIFDNM-UHFFFAOYSA-N
Compound name
[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.4
[M+Na]+ 360.20464 191.3
[M-H]- 336.20814 189.6
[M+NH4]+ 355.24924 198.0
[M+K]+ 376.17858 186.3
[M+H-H2O]+ 320.21268 174.7
[M+HCOO]- 382.21362 204.9
[M+CH3COO]- 396.22927 217.4
[M+Na-2H]- 358.19009 186.1
[M]+ 337.21487 188.6
[M]- 337.21597 188.6
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.