CID 75124206

Einecs 248-656-9

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C3N(C4=CC=CC=C4N3C)C
InChI
InChI=1S/C22H26N4O/c1-5-26(6-2)16-12-11-15-13-17(21(23)27-20(15)14-16)22-24(3)18-9-7-8-10-19(18)25(22)4/h7-14,22-23H,5-6H2,1-4H3
InChIKey
OUQHSTVAJNXXEK-UHFFFAOYSA-N
Compound name
3-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.217936 192.0
[M+Na]+ 385.199878 200.8
[M-H]- 361.203384 200.2
[M+NH4]+ 380.244483 205.0
[M+K]+ 401.173818 195.9
[M+H-H2O]+ 345.207920 181.9
[M+HCOO]- 407.208861 211.5
[M+CH3COO]- 421.224511 202.3
[M+Na-2H]- 383.185326 194.1
[M]+ 362.21011142 195.1
[M]- 362.21120858 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.