CID 5923319

Nsc622390

Structural Information

Molecular Formula
C30H43N4O3
SMILES
CCCC(=O)C(CC)/C(=N\NC(=O)C[N+](C)(C)C)/CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C30H42N4O3/c1-6-14-28(35)26(7-2)27(31-32-29(36)23-34(3,4)5)19-20-30(37)33(21-24-15-10-8-11-16-24)22-25-17-12-9-13-18-25/h8-13,15-18,26H,6-7,14,19-23H2,1-5H3/p+1/b31-27-
InChIKey
NIYOCWPADJKIDC-QVTSOHHYSA-O
Compound name
[2-[(2Z)-2-[1-(dibenzylamino)-5-ethyl-1,6-dioxononan-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.33353 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.34081 230.6
[M+Na]+ 530.32275 227.1
[M-H]- 506.32625 238.3
[M+NH4]+ 525.36735 236.3
[M+K]+ 546.29669 220.2
[M+H-H2O]+ 490.33079 221.8
[M+HCOO]- 552.33173 251.1
[M+CH3COO]- 566.34738 254.8
[M+Na-2H]- 528.30820 230.0
[M]+ 507.33298 232.8
[M]- 507.33408 232.8
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

No patent data available for this compound.