CID 449284

173420-67-2

Structural Information

Molecular Formula
C24H24N4O
SMILES
C1CC1N=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NC5CC5)N)N
InChI
InChI=1S/C24H24N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20H,9-12H2,(H2,25,27)(H2,26,28)
InChIKey
ZIZTVWLWYFAMPU-UHFFFAOYSA-N
Compound name
N'-cyclopropyl-4-[5-[4-(N'-cyclopropylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

384.195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 175.8
[M+Na]+ 407.18422 180.6
[M-H]- 383.18772 191.5
[M+NH4]+ 402.22882 177.3
[M+K]+ 423.15816 177.5
[M+H-H2O]+ 367.19226 169.3
[M+HCOO]- 429.19320 200.0
[M+CH3COO]- 443.20885 184.4
[M+Na-2H]- 405.16967 176.7
[M]+ 384.19445 178.0
[M]- 384.19555 178.0
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