CID 65895

Arpromidine

Structural Information

Molecular Formula
C21H25FN6
SMILES
C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
InChIKey
KZZIVOLMJPSDEP-UHFFFAOYSA-N
Compound name
1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

251
Patents

380.21246 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.219736 188.2
[M+Na]+ 403.201678 191.0
[M-H]- 379.205184 191.6
[M+NH4]+ 398.246283 195.6
[M+K]+ 419.175618 184.1
[M+H-H2O]+ 363.209720 175.1
[M+HCOO]- 425.210661 208.1
[M+CH3COO]- 439.226311 224.4
[M+Na-2H]- 401.187126 190.4
[M]+ 380.21191142 183.9
[M]- 380.21300858 183.9
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