CID 414106

Niz1f3ec1e

Structural Information

Molecular Formula
C24H24N6O2
SMILES
C1=CC(=CC=C1CC(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC(=N)N
InChI
InChI=1S/C24H24N6O2/c25-21(26)13-15-1-9-19(10-2-15)29-23(31)17-5-7-18(8-6-17)24(32)30-20-11-3-16(4-12-20)14-22(27)28/h1-12H,13-14H2,(H3,25,26)(H3,27,28)(H,29,31)(H,30,32)
InChIKey
APLDXVHTOUGARW-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-(2-amino-2-iminoethyl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.19608 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20336 202.3
[M+Na]+ 451.18530 203.1
[M-H]- 427.18880 210.4
[M+NH4]+ 446.22990 208.5
[M+K]+ 467.15924 198.7
[M+H-H2O]+ 411.19334 191.3
[M+HCOO]- 473.19428 226.3
[M+CH3COO]- 487.20993 245.6
[M+Na-2H]- 449.17075 202.2
[M]+ 428.19553 195.1
[M]- 428.19663 195.1
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

No patent data available for this compound.