CID 472062

Chembl23320

Structural Information

Molecular Formula
C26H28N4O
SMILES
C1CC1CN=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NCC5CC5)N)N
InChI
InChI=1S/C26H28N4O/c27-25(29-15-17-1-2-17)21-9-5-19(6-10-21)23-13-14-24(31-23)20-7-11-22(12-8-20)26(28)30-16-18-3-4-18/h5-14,17-18H,1-4,15-16H2,(H2,27,29)(H2,28,30)
InChIKey
PWXALFMWCCNJCY-UHFFFAOYSA-N
Compound name
N'-(cyclopropylmethyl)-4-[5-[4-[N'-(cyclopropylmethyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

412.22632 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 182.3
[M+Na]+ 435.21554 186.3
[M-H]- 411.21904 197.6
[M+NH4]+ 430.26014 182.7
[M+K]+ 451.18948 182.9
[M+H-H2O]+ 395.22358 175.5
[M+HCOO]- 457.22452 205.9
[M+CH3COO]- 471.24017 190.2
[M+Na-2H]- 433.20099 182.3
[M]+ 412.22577 185.0
[M]- 412.22687 185.0
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.