CID 501316

2,5-bis[4-(acetimidoyl)amino-2-methylphenyl]furan

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC1=C(C=CC(=C1)N=C(C)N)C2=CC=C(O2)C3=C(C=C(C=C3)N=C(C)N)C
InChI
InChI=1S/C22H24N4O/c1-13-11-17(25-15(3)23)5-7-19(13)21-9-10-22(27-21)20-8-6-18(12-14(20)2)26-16(4)24/h5-12H,1-4H3,(H2,23,25)(H2,24,26)
InChIKey
XQPBRJWDGAOSNZ-UHFFFAOYSA-N
Compound name
N'-[4-[5-[4-(1-aminoethylideneamino)-2-methylphenyl]furan-2-yl]-3-methylphenyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

360.195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 193.8
[M+Na]+ 383.18422 200.2
[M-H]- 359.18772 206.7
[M+NH4]+ 378.22882 206.7
[M+K]+ 399.15816 196.7
[M+H-H2O]+ 343.19226 184.1
[M+HCOO]- 405.19320 220.8
[M+CH3COO]- 419.20885 232.7
[M+Na-2H]- 381.16967 192.6
[M]+ 360.19445 194.1
[M]- 360.19555 194.1
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

patents stripe