CID 118741

Einecs 252-251-2

Structural Information

Molecular Formula
C22H30N4O
SMILES
CCCCNC(=O)N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C22H30N4O/c1-6-7-16-23-22(27)24-21(17-8-12-19(13-9-17)25(2)3)18-10-14-20(15-11-18)26(4)5/h8-15H,6-7,16H2,1-5H3,(H,23,27)
InChIKey
FPYWTNQYNNPEIR-UHFFFAOYSA-N
Compound name
1-[bis[4-(dimethylamino)phenyl]methylidene]-3-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

366.24197 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24925 195.1
[M+Na]+ 389.23119 197.4
[M-H]- 365.23469 204.9
[M+NH4]+ 384.27579 207.9
[M+K]+ 405.20513 196.0
[M+H-H2O]+ 349.23923 184.5
[M+HCOO]- 411.24017 221.8
[M+CH3COO]- 425.25582 237.6
[M+Na-2H]- 387.21664 195.4
[M]+ 366.24142 197.8
[M]- 366.24252 197.8
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