CID 5274474

N-isopropyl-2-[4-(n-isopropylcarbamimidoyl)phenyl]-4-oxo-chromene-6-carboxamidine

Structural Information

Molecular Formula
C23H26N4O2
SMILES
CC(C)N=C(C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C23H26N4O2/c1-13(2)26-22(24)16-7-5-15(6-8-16)21-12-19(28)18-11-17(9-10-20(18)29-21)23(25)27-14(3)4/h5-14H,1-4H3,(H2,24,26)(H2,25,27)
InChIKey
KROFCQWGQPKGIV-UHFFFAOYSA-N
Compound name
4-oxo-N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]chromene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.20557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 201.0
[M+Na]+ 413.19479 205.8
[M-H]- 389.19829 210.7
[M+NH4]+ 408.23939 211.5
[M+K]+ 429.16873 203.5
[M+H-H2O]+ 373.20283 190.8
[M+HCOO]- 435.20377 223.6
[M+CH3COO]- 449.21942 240.0
[M+Na-2H]- 411.18024 200.9
[M]+ 390.20502 201.2
[M]- 390.20612 201.2
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

No patent data available for this compound.