CID 3066734

111049-28-6

Structural Information

Molecular Formula
C17H26ClN5O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCCN2)Cl
InChI
InChI=1S/C17H26ClN5O2/c1-4-23(5-2)9-8-19-16(24)12-10-13(18)14(11-15(12)25-3)22-17-20-6-7-21-17/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,20,21,22)
InChIKey
LFIDDKDILRHDBO-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

367.1775 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18478 188.8
[M+Na]+ 390.16672 193.2
[M-H]- 366.17022 192.5
[M+NH4]+ 385.21132 200.3
[M+K]+ 406.14066 188.8
[M+H-H2O]+ 350.17476 179.3
[M+HCOO]- 412.17570 206.0
[M+CH3COO]- 426.19135 222.5
[M+Na-2H]- 388.15217 188.5
[M]+ 367.17695 191.2
[M]- 367.17805 191.2
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