CID 45051490

853407-16-6

Structural Information

Molecular Formula
C21H19N5O3
SMILES
CN1C2=C(C=C(C=C2)N=CC3=CC=C(O3)[N+](=O)[O-])N=C1C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C21H19N5O3/c1-24(2)16-7-4-14(5-8-16)21-23-18-12-15(6-10-19(18)25(21)3)22-13-17-9-11-20(29-17)26(27)28/h4-13H,1-3H3
InChIKey
ISHRSDXZPPCWKU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[1-methyl-5-[(5-nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1488 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.156076 192.8
[M+Na]+ 412.138018 200.3
[M-H]- 388.141524 205.8
[M+NH4]+ 407.182623 204.4
[M+K]+ 428.111958 193.3
[M+H-H2O]+ 372.146060 186.9
[M+HCOO]- 434.147001 220.1
[M+CH3COO]- 448.162651 225.0
[M+Na-2H]- 410.123466 198.0
[M]+ 389.14825142 197.5
[M]- 389.14934858 197.5
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.