CID 15954605

5-benzofurancarboximidamide, 2-[4-[3-[2-[imino(methylamino)methyl]phenoxy]propoxy]phenyl]-n-methyl-

Structural Information

Molecular Formula
C31H36N4O3
SMILES
CC(C)N=C(C1=CC=C(C=C1)OCCCOC2=CC=CC=C2C3=CC4=C(O3)C=C(C=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C31H36N4O3/c1-20(2)34-30(32)22-12-14-25(15-13-22)36-16-7-17-37-27-9-6-5-8-26(27)29-18-23-10-11-24(19-28(23)38-29)31(33)35-21(3)4/h5-6,8-15,18-21H,7,16-17H2,1-4H3,(H2,32,34)(H2,33,35)
InChIKey
ZGJWDKNGVDPTLO-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[2-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenoxy]propoxy]phenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.27875 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.28603 233.8
[M+Na]+ 535.26797 236.0
[M-H]- 511.27147 246.0
[M+NH4]+ 530.31257 240.3
[M+K]+ 551.24191 233.3
[M+H-H2O]+ 495.27601 222.2
[M+HCOO]- 557.27695 256.8
[M+CH3COO]- 571.29260 261.1
[M+Na-2H]- 533.25342 230.8
[M]+ 512.27820 238.2
[M]- 512.27930 238.2
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.